From abc50e214c45ae86d86ccded08da8e6dd1610182 Mon Sep 17 00:00:00 2001 From: Henry Weller Date: Fri, 17 Feb 2017 11:22:14 +0000 Subject: [PATCH] thermophysicalModels: Changed specie thermodynamics from mole to mass basis The fundamental properties provided by the specie class hierarchy were mole-based, i.e. provide the properties per mole whereas the fundamental properties provided by the liquidProperties and solidProperties classes are mass-based, i.e. per unit mass. This inconsistency made it impossible to instantiate the thermodynamics packages (rhoThermo, psiThermo) used by the FV transport solvers on liquidProperties. In order to combine VoF with film and/or Lagrangian models it is essential that the physical propertied of the three representations of the liquid are consistent which means that it is necessary to instantiate the thermodynamics packages on liquidProperties. This requires either liquidProperties to be rewritten mole-based or the specie classes to be rewritten mass-based. Given that most of OpenFOAM solvers operate mass-based (solve for mass-fractions and provide mass-fractions to sub-models it is more consistent and efficient if the low-level thermodynamics is also mass-based. This commit includes all of the changes necessary for all of the thermodynamics in OpenFOAM to operate mass-based and supports the instantiation of thermodynamics packages on liquidProperties. Note that most users, developers and contributors to OpenFOAM will not notice any difference in the operation of the code except that the confusing nMoles 1; entries in the thermophysicalProperties files are no longer needed or used and have been removed in this commet. The only substantial change to the internals is that species thermodynamics are now "mixed" with mass rather than mole fractions. This is more convenient except for defining reaction equilibrium thermodynamics for which the molar rather than mass composition is usually know. The consequence of this can be seen in the adiabaticFlameT, equilibriumCO and equilibriumFlameT utilities in which the species thermodynamics are pre-multiplied by their molecular mass to effectively convert them to mole-basis to simplify the definition of the reaction equilibrium thermodynamics, e.g. in equilibriumCO // Reactants (mole-based) thermo FUEL(thermoData.subDict(fuelName)); FUEL *= FUEL.W(); // Oxidant (mole-based) thermo O2(thermoData.subDict("O2")); O2 *= O2.W(); thermo N2(thermoData.subDict("N2")); N2 *= N2.W(); // Intermediates (mole-based) thermo H2(thermoData.subDict("H2")); H2 *= H2.W(); // Products (mole-based) thermo CO2(thermoData.subDict("CO2")); CO2 *= CO2.W(); thermo H2O(thermoData.subDict("H2O")); H2O *= H2O.W(); thermo CO(thermoData.subDict("CO")); CO *= CO.W(); // Product dissociation reactions thermo CO2BreakUp ( CO2 == CO + 0.5*O2 ); thermo H2OBreakUp ( H2O == H2 + 0.5*O2 ); Please report any problems with this substantial but necessary rewrite of the thermodynamic at https://bugs.openfoam.org Henry G. Weller CFD Direct Ltd. --- .../solvers/combustion/fireFoam/Make/options | 3 - .../rhoSimpleFoam/rhoPorousSimpleFoam/EEqn.H | 26 - .../rhoPorousSimpleFoam/createFields.H | 11 + .../rhoSimpleFoam/rhoPorousSimpleFoam/pEqn.H | 2 + .../lagrangian/coalChemistryFoam/Make/options | 4 - .../reactingParcelFilmFoam/Make/options | 3 - .../reactingParcelFoam/Make/options | 4 - .../simpleReactingParcelFoam/Make/options | 4 - .../solvers/lagrangian/sprayFoam/Make/options | 4 - .../sprayFoam/sprayDyMFoam/Make/options | 4 - .../sprayFoam/sprayEngineFoam/Make/options | 4 - .../interfacialCompositionModels/Make/options | 2 - applications/test/thermoMixture/thermoDict | 2 - .../miscellaneous/foamList/Make/options | 2 - .../adiabaticFlameT/adiabaticFlameT.C | 82 +- .../equilibriumCO/equilibriumCO.C | 52 +- .../equilibriumFlameT/equilibriumFlameT.C | 29 +- .../constant/thermophysicalProperties | 1 - etc/thermoData/thermoData | 2332 ----------------- .../thermalBaffle1DFvPatchScalarField.H | 3 +- src/lagrangian/coalCombustion/Make/options | 4 - src/lagrangian/intermediate/Make/options | 4 - src/lagrangian/spray/Make/options | 4 - src/lagrangian/turbulence/Make/options | 4 - src/regionModels/regionCoupling/Make/options | 2 - .../surfaceFilmModels/Make/options | 4 - .../wallFunctions/Make/options | 4 - .../liquidFilmThermo/liquidFilmThermo.C | 4 +- .../thermalBaffleFvPatchScalarField.H | 3 +- .../SLGThermo/Make/options | 2 - .../basic/heThermo/heThermo.C | 40 +- src/thermophysicalModels/properties/Allwmake | 2 - .../liquidMixtureProperties/Make/files | 3 - .../liquidMixtureProperties/Make/options | 10 - .../properties/liquidProperties/Ar/Ar.C | 22 +- .../properties/liquidProperties/Ar/Ar.H | 14 +- .../properties/liquidProperties/Ar/ArI.H | 10 +- .../liquidProperties/C10H22/C10H22.C | 22 +- .../liquidProperties/C10H22/C10H22.H | 14 +- .../liquidProperties/C10H22/C10H22I.H | 10 +- .../liquidProperties/C12H26/C12H26.C | 22 +- .../liquidProperties/C12H26/C12H26.H | 14 +- .../liquidProperties/C12H26/C12H26I.H | 10 +- .../liquidProperties/C13H28/C13H28.C | 22 +- .../liquidProperties/C13H28/C13H28.H | 14 +- .../liquidProperties/C13H28/C13H28I.H | 10 +- .../liquidProperties/C14H30/C14H30.C | 22 +- .../liquidProperties/C14H30/C14H30.H | 14 +- .../liquidProperties/C14H30/C14H30I.H | 10 +- .../liquidProperties/C16H34/C16H34.C | 22 +- .../liquidProperties/C16H34/C16H34.H | 14 +- .../liquidProperties/C16H34/C16H34I.H | 10 +- .../liquidProperties/C2H5OH/C2H5OH.C | 22 +- .../liquidProperties/C2H5OH/C2H5OH.H | 14 +- .../liquidProperties/C2H5OH/C2H5OHI.H | 10 +- .../properties/liquidProperties/C2H6/C2H6.C | 22 +- .../properties/liquidProperties/C2H6/C2H6.H | 14 +- .../properties/liquidProperties/C2H6/C2H6I.H | 10 +- .../properties/liquidProperties/C2H6O/C2H6O.C | 22 +- .../properties/liquidProperties/C2H6O/C2H6O.H | 14 +- .../liquidProperties/C2H6O/C2H6OI.H | 10 +- .../properties/liquidProperties/C3H6O/C3H6O.C | 22 +- .../properties/liquidProperties/C3H6O/C3H6O.H | 14 +- .../liquidProperties/C3H6O/C3H6OI.H | 10 +- .../properties/liquidProperties/C3H8/C3H8.C | 22 +- .../properties/liquidProperties/C3H8/C3H8.H | 14 +- .../properties/liquidProperties/C3H8/C3H8I.H | 10 +- .../liquidProperties/C4H10O/C4H10O.C | 22 +- .../liquidProperties/C4H10O/C4H10O.H | 14 +- .../liquidProperties/C4H10O/C4H10OI.H | 10 +- .../properties/liquidProperties/C6H14/C6H14.C | 22 +- .../properties/liquidProperties/C6H14/C6H14.H | 14 +- .../liquidProperties/C6H14/C6H14I.H | 10 +- .../properties/liquidProperties/C6H6/C6H6.C | 22 +- .../properties/liquidProperties/C6H6/C6H6.H | 14 +- .../properties/liquidProperties/C6H6/C6H6I.H | 10 +- .../properties/liquidProperties/C7H16/C7H16.C | 22 +- .../properties/liquidProperties/C7H16/C7H16.H | 14 +- .../liquidProperties/C7H16/C7H16I.H | 10 +- .../properties/liquidProperties/C7H8/C7H8.C | 22 +- .../properties/liquidProperties/C7H8/C7H8.H | 14 +- .../properties/liquidProperties/C7H8/C7H8I.H | 10 +- .../properties/liquidProperties/C8H10/C8H10.C | 22 +- .../properties/liquidProperties/C8H10/C8H10.H | 14 +- .../liquidProperties/C8H10/C8H10I.H | 10 +- .../properties/liquidProperties/C8H18/C8H18.C | 22 +- .../properties/liquidProperties/C8H18/C8H18.H | 14 +- .../liquidProperties/C8H18/C8H18I.H | 10 +- .../properties/liquidProperties/C9H20/C9H20.C | 22 +- .../properties/liquidProperties/C9H20/C9H20.H | 14 +- .../liquidProperties/C9H20/C9H20I.H | 10 +- .../properties/liquidProperties/CH3OH/CH3OH.C | 22 +- .../properties/liquidProperties/CH3OH/CH3OH.H | 14 +- .../liquidProperties/CH3OH/CH3OHI.H | 10 +- .../liquidProperties/CH4N2O/CH4N2O.C | 22 +- .../liquidProperties/CH4N2O/CH4N2O.H | 14 +- .../liquidProperties/CH4N2O/CH4N2OI.H | 8 +- .../properties/liquidProperties/H2O/H2O.C | 50 +- .../properties/liquidProperties/H2O/H2O.H | 14 +- .../properties/liquidProperties/H2O/H2OI.H | 10 +- .../liquidProperties/IC8H18/IC8H18.C | 22 +- .../liquidProperties/IC8H18/IC8H18.H | 14 +- .../liquidProperties/IC8H18/IC8H18I.H | 10 +- .../properties/liquidProperties/IDEA/IDEA.C | 22 +- .../properties/liquidProperties/IDEA/IDEA.H | 14 +- .../properties/liquidProperties/IDEA/IDEAI.H | 10 +- .../properties/liquidProperties/MB/MB.C | 22 +- .../properties/liquidProperties/MB/MB.H | 14 +- .../properties/liquidProperties/MB/MBI.H | 10 +- .../properties/liquidProperties/Make/files | 2 + .../properties/liquidProperties/Make/options | 2 + .../properties/liquidProperties/N2/N2.C | 22 +- .../properties/liquidProperties/N2/N2.H | 14 +- .../properties/liquidProperties/N2/N2I.H | 10 +- .../liquidProperties/aC10H7CH3/aC10H7CH3.C | 22 +- .../liquidProperties/aC10H7CH3/aC10H7CH3.H | 14 +- .../liquidProperties/aC10H7CH3/aC10H7CH3I.H | 10 +- .../liquidProperties/bC10H7CH3/bC10H7CH3.C | 22 +- .../liquidProperties/bC10H7CH3/bC10H7CH3.H | 14 +- .../liquidProperties/bC10H7CH3/bC10H7CH3I.H | 10 +- .../liquidProperties/iC3H8O/iC3H8O.C | 22 +- .../liquidProperties/iC3H8O/iC3H8O.H | 12 +- .../liquidProperties/iC3H8O/iC3H8OI.H | 8 +- .../liquidMixtureProperties.C | 8 +- .../liquidMixtureProperties.H | 4 +- .../liquidProperties/liquidProperties.C | 50 +- .../liquidProperties/liquidProperties.H | 64 +- .../liquidProperties/liquidPropertiesI.H | 50 +- .../liquidProperties/nC3H8O/nC3H8O.C | 22 +- .../liquidProperties/nC3H8O/nC3H8O.H | 12 +- .../liquidProperties/nC3H8O/nC3H8OI.H | 8 +- .../solidMixtureProperties/Make/files | 3 - .../solidMixtureProperties/Make/options | 3 - .../properties/solidProperties/Make/files | 1 + .../solidMixtureProperties.C | 2 +- .../solidMixtureProperties.H | 2 +- .../solidProperties/solidProperties.C | 12 +- .../solidProperties/solidProperties.H | 6 +- .../solidProperties/solidPropertiesI.H | 6 +- .../radiation/Make/options | 4 - .../chemkinReader/chemkinLexer.L | 9 +- .../mixtures/SpecieMixture/SpecieMixture.C | 12 +- .../mixtures/SpecieMixture/SpecieMixture.H | 5 +- .../basicSpecieMixture/basicSpecieMixture.H | 5 +- .../mixtures/egrMixture/egrMixture.C | 8 +- .../homogeneousMixture/homogeneousMixture.C | 6 +- .../inhomogeneousMixture.C | 8 +- .../multiComponentMixture.C | 14 +- .../veryInhomogeneousMixture.C | 8 +- .../psiuReactionThermo/psiuReactionThermos.C | 15 +- .../rhoReactionThermo/rhoReactionThermos.C | 6 +- .../const/constAnIsoSolidTransport.H | 6 +- .../const/constAnIsoSolidTransportI.H | 25 +- .../transport/const/constIsoSolidTransport.H | 3 +- .../transport/const/constIsoSolidTransportI.H | 26 +- .../exponential/exponentialSolidTransport.H | 3 +- .../exponential/exponentialSolidTransportI.H | 31 +- .../polynomial/polynomialSolidTransport.H | 29 +- .../polynomial/polynomialSolidTransportI.H | 67 +- .../equationOfState/Boussinesq/Boussinesq.C | 2 +- .../equationOfState/Boussinesq/Boussinesq.H | 33 +- .../equationOfState/Boussinesq/BoussinesqI.H | 107 +- .../PengRobinsonGas/PengRobinsonGas.C | 2 +- .../PengRobinsonGas/PengRobinsonGas.H | 35 +- .../PengRobinsonGas/PengRobinsonGasI.H | 281 +- .../adiabaticPerfectFluid.C | 2 +- .../adiabaticPerfectFluid.H | 35 +- .../adiabaticPerfectFluidI.H | 123 +- .../icoPolynomial/icoPolynomial.C | 14 +- .../icoPolynomial/icoPolynomial.H | 33 +- .../icoPolynomial/icoPolynomialI.H | 101 +- .../incompressiblePerfectGas.C | 2 +- .../incompressiblePerfectGas.H | 33 +- .../incompressiblePerfectGasI.H | 93 +- .../specie/equationOfState/linear/linear.C | 2 +- .../specie/equationOfState/linear/linear.H | 33 +- .../specie/equationOfState/linear/linearI.H | 107 +- .../perfectFluid/perfectFluid.C | 2 +- .../perfectFluid/perfectFluid.H | 33 +- .../perfectFluid/perfectFluidI.H | 109 +- .../equationOfState/perfectGas/perfectGas.C | 2 +- .../equationOfState/perfectGas/perfectGas.H | 33 +- .../equationOfState/perfectGas/perfectGasI.H | 44 +- .../equationOfState/rhoConst/rhoConst.H | 33 +- .../equationOfState/rhoConst/rhoConstI.H | 96 +- .../reaction/Reactions/Reaction/Reaction.C | 46 +- .../specie/specie/specie.C | 13 +- .../specie/specie/specie.H | 18 +- .../specie/specie/specieI.H | 98 +- .../absoluteEnthalpy/absoluteEnthalpy.H | 26 +- .../absoluteInternalEnergy.H | 27 +- .../specie/thermo/eConst/eConstThermo.C | 16 +- .../specie/thermo/eConst/eConstThermo.H | 38 +- .../specie/thermo/eConst/eConstThermoI.H | 116 +- .../specie/thermo/hConst/hConstThermo.C | 16 +- .../specie/thermo/hConst/hConstThermo.H | 36 +- .../specie/thermo/hConst/hConstThermoI.H | 118 +- .../thermo/hPolynomial/hPolynomialThermo.C | 22 +- .../thermo/hPolynomial/hPolynomialThermo.H | 36 +- .../thermo/hPolynomial/hPolynomialThermoI.H | 140 +- .../specie/thermo/hPower/hPowerThermo.C | 10 +- .../specie/thermo/hPower/hPowerThermo.H | 30 +- .../specie/thermo/hPower/hPowerThermoI.H | 141 +- .../specie/thermo/hRefConst/hRefConstThermo.C | 22 +- .../specie/thermo/hRefConst/hRefConstThermo.H | 36 +- .../thermo/hRefConst/hRefConstThermoI.H | 128 +- .../specie/thermo/janaf/janafThermo.C | 51 +- .../specie/thermo/janaf/janafThermo.H | 42 +- .../specie/thermo/janaf/janafThermoI.H | 359 ++- .../sensibleEnthalpy/sensibleEnthalpy.H | 26 +- .../sensibleInternalEnergy.H | 26 +- .../specie/thermo/thermo/thermo.H | 139 +- .../specie/thermo/thermo/thermoI.H | 276 +- .../specie/transport/const/constTransport.H | 30 +- .../specie/transport/const/constTransportI.H | 92 +- .../logPolynomial/logPolynomialTransport.C | 20 +- .../logPolynomial/logPolynomialTransport.H | 31 +- .../logPolynomial/logPolynomialTransportI.H | 101 +- .../polynomial/polynomialTransport.C | 20 +- .../polynomial/polynomialTransport.H | 31 +- .../polynomial/polynomialTransportI.H | 101 +- .../sutherland/sutherlandTransport.H | 30 +- .../sutherland/sutherlandTransportI.H | 97 +- .../constant/thermophysicalProperties | 3 - .../constant/thermophysicalProperties | 41 +- .../thermophysicalProperties.hydrogen | 2 - .../constant/thermophysicalProperties | 3 - .../constant/pyrolysisRegion/thermo.solid | 2 - .../pyrolysisRegion/thermophysicalProperties | 1 - .../constant/thermo.compressibleGas | 5 - .../constant/panelRegion/thermo.solid | 2 - .../panelRegion/thermophysicalProperties | 1 - .../constant/thermo.compressibleGas | 5 - .../constant/thermo.compressibleGas | 5 - .../constant/thermo.compressibleGas | 5 - .../constant/thermo.compressibleGas | 5 - .../constant/thermo.compressibleGas | 5 - .../constant/thermo.compressibleGas | 5 - .../constant/thermo.compressibleGasGRI | 53 - .../constant/thermo.compressibleGas | 5 - .../constant/thermo.compressibleGasGRI | 53 - .../constant/thermo.compressibleGas | 5 - .../constant/thermo.compressibleGasGRI | 53 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../cavity/constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../prism/constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../hotRoom/constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../include/1DBaffle/1DbaffleSolidThermo | 1 - .../include/3DBaffle/3DbaffleSolidThermo | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties | 1 - .../bottomWater/thermophysicalProperties | 1 - .../constant/heater/thermophysicalProperties | 1 - .../constant/topAir/thermophysicalProperties | 1 - .../bottomAir/thermophysicalProperties | 1 - .../constant/heater/thermophysicalProperties | 1 - .../constant/air/thermophysicalProperties | 1 - .../constant/porous/thermophysicalProperties | 1 - .../bottomAir/thermophysicalProperties | 1 - .../constant/heater/thermophysicalProperties | 1 - .../simplifiedSiwek/constant/foam.dat | 6 - .../cylinder/constant/foam.dat | 3 - .../hotBoxes/constant/foam.dat | 3 - .../rivuletPanel/constant/foam.dat | 3 - .../splashPanel/constant/foam.dat | 3 - .../constant/thermo.compressibleGas | 5 - .../filter/constant/thermo.incompressiblePoly | 4 - .../constant/thermo.incompressiblePoly | 4 - .../constant/thermo.incompressiblePoly | 3 - .../constant/thermo.incompressiblePoly | 3 - .../constant/thermo.incompressiblePoly | 3 - .../OpenCFD/constant/thermophysicalProperties | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.mercury | 1 - .../constant/thermophysicalProperties.oil | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.mercury | 1 - .../constant/thermophysicalProperties.oil | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.gas | 1 - .../constant/thermophysicalProperties.solids | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermo.gas | 5 - .../constant/thermophysicalProperties.liquid | 2 - .../constant/thermophysicalProperties.air | 1 - .../thermophysicalProperties.particles | 1 - .../constant/thermophysicalProperties.gas | 1 - .../constant/thermophysicalProperties.liquid | 1 - .../constant/thermophysicalProperties.gas | 1 - .../constant/thermophysicalProperties.liquid | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.gas | 2 - .../constant/thermophysicalProperties.liquid | 2 - .../constant/thermophysicalProperties.gas | 2 - .../constant/thermophysicalProperties.liquid | 2 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../thermophysicalProperties.particles | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.steam | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../thermophysicalProperties.particles | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../thermophysicalProperties.particles | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - .../constant/thermophysicalProperties.air | 1 - .../constant/thermophysicalProperties.water | 1 - 356 files changed, 2654 insertions(+), 6318 deletions(-) delete mode 100644 applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/EEqn.H delete mode 100644 src/thermophysicalModels/properties/liquidMixtureProperties/Make/files delete mode 100644 src/thermophysicalModels/properties/liquidMixtureProperties/Make/options rename src/thermophysicalModels/properties/{liquidMixtureProperties => liquidProperties}/liquidMixtureProperties/liquidMixtureProperties.C (97%) rename src/thermophysicalModels/properties/{liquidMixtureProperties => liquidProperties}/liquidMixtureProperties/liquidMixtureProperties.H (98%) delete mode 100644 src/thermophysicalModels/properties/solidMixtureProperties/Make/files delete mode 100644 src/thermophysicalModels/properties/solidMixtureProperties/Make/options rename src/thermophysicalModels/properties/{solidMixtureProperties => solidProperties}/solidMixtureProperties/solidMixtureProperties.C (97%) rename src/thermophysicalModels/properties/{solidMixtureProperties => solidProperties}/solidMixtureProperties/solidMixtureProperties.H (98%) diff --git a/applications/solvers/combustion/fireFoam/Make/options b/applications/solvers/combustion/fireFoam/Make/options index b49c426e8..4b25d248e 100644 --- a/applications/solvers/combustion/fireFoam/Make/options +++ b/applications/solvers/combustion/fireFoam/Make/options @@ -14,9 +14,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/solidChemistryModel/lnInclude \ -I$(LIB_SRC)/combustionModels/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ @@ -39,7 +37,6 @@ EXE_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lsolidProperties \ - -lsolidMixtureProperties \ -lthermophysicalFunctions \ -lreactionThermophysicalModels \ -lSLGThermo \ diff --git a/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/EEqn.H b/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/EEqn.H deleted file mode 100644 index 56e78ff63..000000000 --- a/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/EEqn.H +++ /dev/null @@ -1,26 +0,0 @@ -{ - volScalarField& he = thermo.he(); - - fvScalarMatrix EEqn - ( - fvm::div(phi, he) - + ( - he.name() == "e" - ? fvc::div(phi, volScalarField("Ekp", 0.5*magSqr(U) + p/rho)) - : fvc::div(phi, volScalarField("K", 0.5*magSqr(U))) - ) - - fvm::laplacian(turbulence->alphaEff(), he) - == - fvOptions(rho, he) - ); - - EEqn.relax(); - - fvOptions.constrain(EEqn); - - EEqn.solve(); - - fvOptions.correct(he); - - thermo.correct(); -} diff --git a/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/createFields.H b/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/createFields.H index e7136c52d..5daef0c2d 100644 --- a/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/createFields.H +++ b/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/createFields.H @@ -67,6 +67,17 @@ dimensionedScalar rhoMin ) ); +dimensionedScalar pMin +( + dimensionedScalar::lookupOrDefault + ( + "pMin", + simple.dict(), + dimPressure, + 10 + ) +); + Info<< "Creating turbulence model\n" << endl; autoPtr turbulence ( diff --git a/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/pEqn.H b/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/pEqn.H index 7b5598316..ca8725b49 100644 --- a/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/pEqn.H +++ b/applications/solvers/compressible/rhoSimpleFoam/rhoPorousSimpleFoam/pEqn.H @@ -83,6 +83,8 @@ /fvc::domainIntegrate(psi); } + p = max(p, pMin); + rho = thermo.rho(); rho = max(rho, rhoMin); rho = min(rho, rhoMax); diff --git a/applications/solvers/lagrangian/coalChemistryFoam/Make/options b/applications/solvers/lagrangian/coalChemistryFoam/Make/options index 9c23effa5..978ea9d9b 100644 --- a/applications/solvers/lagrangian/coalChemistryFoam/Make/options +++ b/applications/solvers/lagrangian/coalChemistryFoam/Make/options @@ -11,9 +11,7 @@ EXE_INC = \ -I$(LIB_SRC)/transportModels/compressible/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ @@ -39,9 +37,7 @@ EXE_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lthermophysicalFunctions \ -lreactionThermophysicalModels \ -lSLGThermo \ diff --git a/applications/solvers/lagrangian/reactingParcelFilmFoam/Make/options b/applications/solvers/lagrangian/reactingParcelFilmFoam/Make/options index 014cd4e35..4e218c6db 100644 --- a/applications/solvers/lagrangian/reactingParcelFilmFoam/Make/options +++ b/applications/solvers/lagrangian/reactingParcelFilmFoam/Make/options @@ -10,9 +10,7 @@ EXE_INC = \ -I$(LIB_SRC)/transportModels/compressible/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ @@ -37,7 +35,6 @@ EXE_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lsolidProperties \ - -lsolidMixtureProperties \ -lthermophysicalFunctions \ -lreactionThermophysicalModels \ -lSLGThermo \ diff --git a/applications/solvers/lagrangian/reactingParcelFoam/Make/options b/applications/solvers/lagrangian/reactingParcelFoam/Make/options index f39888db2..f66d16750 100644 --- a/applications/solvers/lagrangian/reactingParcelFoam/Make/options +++ b/applications/solvers/lagrangian/reactingParcelFoam/Make/options @@ -12,9 +12,7 @@ EXE_INC = \ -I$(LIB_SRC)/transportModels/compressible/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ @@ -40,9 +38,7 @@ EXE_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lthermophysicalFunctions \ -lreactionThermophysicalModels \ -lSLGThermo \ diff --git a/applications/solvers/lagrangian/reactingParcelFoam/simpleReactingParcelFoam/Make/options b/applications/solvers/lagrangian/reactingParcelFoam/simpleReactingParcelFoam/Make/options index f39888db2..f66d16750 100644 --- a/applications/solvers/lagrangian/reactingParcelFoam/simpleReactingParcelFoam/Make/options +++ b/applications/solvers/lagrangian/reactingParcelFoam/simpleReactingParcelFoam/Make/options @@ -12,9 +12,7 @@ EXE_INC = \ -I$(LIB_SRC)/transportModels/compressible/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ @@ -40,9 +38,7 @@ EXE_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lthermophysicalFunctions \ -lreactionThermophysicalModels \ -lSLGThermo \ diff --git a/applications/solvers/lagrangian/sprayFoam/Make/options b/applications/solvers/lagrangian/sprayFoam/Make/options index 35233e06c..28b5e6ac7 100644 --- a/applications/solvers/lagrangian/sprayFoam/Make/options +++ b/applications/solvers/lagrangian/sprayFoam/Make/options @@ -14,9 +14,7 @@ EXE_INC = \ -I$(LIB_SRC)/transportModels/compressible/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ @@ -38,9 +36,7 @@ EXE_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lthermophysicalFunctions \ -lreactionThermophysicalModels \ -lSLGThermo \ diff --git a/applications/solvers/lagrangian/sprayFoam/sprayDyMFoam/Make/options b/applications/solvers/lagrangian/sprayFoam/sprayDyMFoam/Make/options index 75d59e093..ebb0621e9 100644 --- a/applications/solvers/lagrangian/sprayFoam/sprayDyMFoam/Make/options +++ b/applications/solvers/lagrangian/sprayFoam/sprayDyMFoam/Make/options @@ -15,9 +15,7 @@ EXE_INC = \ -I$(LIB_SRC)/transportModels/compressible/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ @@ -42,9 +40,7 @@ EXE_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lthermophysicalFunctions \ -lreactionThermophysicalModels \ -lSLGThermo \ diff --git a/applications/solvers/lagrangian/sprayFoam/sprayEngineFoam/Make/options b/applications/solvers/lagrangian/sprayFoam/sprayEngineFoam/Make/options index 86c7ad23f..3cda53424 100644 --- a/applications/solvers/lagrangian/sprayFoam/sprayEngineFoam/Make/options +++ b/applications/solvers/lagrangian/sprayFoam/sprayEngineFoam/Make/options @@ -16,9 +16,7 @@ EXE_INC = \ -I$(LIB_SRC)/transportModels/compressible/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ @@ -45,9 +43,7 @@ EXE_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lthermophysicalFunctions \ -lreactionThermophysicalModels \ -lSLGThermo \ diff --git a/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/Make/options b/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/Make/options index 3a5eb7ac7..5f109df52 100644 --- a/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/Make/options +++ b/applications/solvers/multiphase/reactingEulerFoam/interfacialCompositionModels/Make/options @@ -3,9 +3,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ diff --git a/applications/test/thermoMixture/thermoDict b/applications/test/thermoMixture/thermoDict index 426ae0a9f..e17e34c5e 100644 --- a/applications/test/thermoMixture/thermoDict +++ b/applications/test/thermoMixture/thermoDict @@ -2,7 +2,6 @@ specie1 { specie { - nMoles 1; molWeight 1; } @@ -24,7 +23,6 @@ specie2 { specie { - nMoles 1; molWeight 0.5; } diff --git a/applications/utilities/miscellaneous/foamList/Make/options b/applications/utilities/miscellaneous/foamList/Make/options index 2c3bcc70f..5ce9e05d4 100644 --- a/applications/utilities/miscellaneous/foamList/Make/options +++ b/applications/utilities/miscellaneous/foamList/Make/options @@ -49,7 +49,6 @@ EXE_LIBS = \ -llagrangianSpray \ -llagrangianTurbulence \ -llaminarFlameSpeedModels \ - -lliquidMixtureProperties \ -lliquidProperties \ -lmeshTools \ -lmolecularMeasurements \ @@ -81,7 +80,6 @@ EXE_LIBS = \ -lSLGThermo \ -lsnappyHexMesh \ -lsolidChemistryModel \ - -lsolidMixtureProperties \ -lsolidParticle \ -lsolidProperties \ -lsolidSpecie \ diff --git a/applications/utilities/thermophysical/adiabaticFlameT/adiabaticFlameT.C b/applications/utilities/thermophysical/adiabaticFlameT/adiabaticFlameT.C index 7cc7e44c7..523e6b4f6 100644 --- a/applications/utilities/thermophysical/adiabaticFlameT/adiabaticFlameT.C +++ b/applications/utilities/thermophysical/adiabaticFlameT/adiabaticFlameT.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -97,28 +97,59 @@ int main(int argc, char *argv[]) scalar stoicO2 = n + m/4.0; - scalar stoicN2 = (0.79/0.21)*(n + m/4.0); + scalar stoicN2 = (0.79/0.21)*stoicO2; scalar stoicCO2 = n; scalar stoicH2O = m/2.0; - thermo fuel + thermo FUEL ( "fuel", thermo(thermoData.subDict(fuelName)) ); + Info<< "fuel " << FUEL << ';' << endl; + FUEL *= FUEL.W(); + + thermo O2 + ( + "O2", + thermo(thermoData.subDict("O2")) + ); + O2 *= O2.W(); + + thermo N2 + ( + "N2", + thermo(thermoData.subDict("N2")) + ); + N2 *= N2.W(); + + thermo CO2 + ( + "CO2", + thermo(thermoData.subDict("CO2")) + ); + CO2 *= CO2.W(); + + thermo H2O + ( + "H2O", + thermo(thermoData.subDict("H2O")) + ); + H2O *= H2O.W(); thermo oxidant ( "oxidant", - stoicO2*thermo(thermoData.subDict("O2")) - + stoicN2*thermo(thermoData.subDict("N2")) + stoicO2*O2 + + stoicN2*N2 ); + Info<< "oxidant " << (1/oxidant.Y())*oxidant << ';' << endl; dimensionedScalar stoichiometricAirFuelMassRatio ( "stoichiometricAirFuelMassRatio", dimless, - (oxidant.W()*oxidant.nMoles())/fuel.W() + oxidant.Y()/FUEL.W() ); Info<< "stoichiometricAirFuelMassRatio " @@ -138,49 +169,34 @@ int main(int argc, char *argv[]) scalar ores = max(1.0/equiv - 1.0, 0.0); scalar fburnt = 1.0 - fres; - thermo fuel - ( - "fuel", - thermo(thermoData.subDict(fuelName)) - ); - Info<< "fuel " << fuel << ';' << endl; - - thermo oxidant - ( - "oxidant", - o2*thermo(thermoData.subDict("O2")) - + n2*thermo(thermoData.subDict("N2")) - ); - Info<< "oxidant " << (1/oxidant.nMoles())*oxidant << ';' << endl; - thermo reactants ( "reactants", - fuel + oxidant + FUEL + (1.0/equiv)*oxidant ); - Info<< "reactants " << (1/reactants.nMoles())*reactants << ';' << endl; + Info<< "reactants " << (1/reactants.Y())*reactants << ';' << endl; thermo burntProducts ( "burntProducts", - + (n2 - (0.79/0.21)*ores*stoicO2)*thermo(thermoData.subDict("N2")) - + fburnt*stoicCO2*thermo(thermoData.subDict("CO2")) - + fburnt*stoicH2O*thermo(thermoData.subDict("H2O")) + + (n2 - (0.79/0.21)*ores*stoicO2)*N2 + + fburnt*stoicCO2*CO2 + + fburnt*stoicH2O*H2O ); Info<< "burntProducts " - << (1/burntProducts.nMoles())*burntProducts << ';' << endl; + << (1/burntProducts.Y())*burntProducts << ';' << endl; thermo products ( "products", - fres*fuel - + n2*thermo(thermoData.subDict("N2")) - + fburnt*stoicCO2*thermo(thermoData.subDict("CO2")) - + fburnt*stoicH2O*thermo(thermoData.subDict("H2O")) - + ores*stoicO2*thermo(thermoData.subDict("O2")) + fres*FUEL + + n2*N2 + + fburnt*stoicCO2*CO2 + + fburnt*stoicH2O*H2O + + ores*stoicO2*O2 ); - Info<< "products " << (1/products.nMoles())*products << ';' << endl; + Info<< "products " << (1/products.Y())*products << ';' << endl; scalar Tad = products.THa(reactants.Ha(P, T0), P, 1000.0); Info<< "Tad = " << Tad << nl << endl; diff --git a/applications/utilities/thermophysical/equilibriumCO/equilibriumCO.C b/applications/utilities/thermophysical/equilibriumCO/equilibriumCO.C index 478c2ae9f..62313f789 100644 --- a/applications/utilities/thermophysical/equilibriumCO/equilibriumCO.C +++ b/applications/utilities/thermophysical/equilibriumCO/equilibriumCO.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -73,52 +73,44 @@ int main(int argc, char *argv[]) - scalar P = 1e5; - scalar T = 3000.0; + const scalar P = 1e5; + const scalar T = 3000.0; + + // Oxidant (mole-based) + thermo O2(thermoData.subDict("O2")); O2 *= O2.W(); + thermo N2(thermoData.subDict("N2")); N2 *= N2.W(); + + // Intermediates (mole-based) + thermo H2(thermoData.subDict("H2")); H2 *= H2.W(); + thermo OH(thermoData.subDict("OH")); OH *= OH.W(); + thermo H(thermoData.subDict("H")); H *= H.W(); + thermo O(thermoData.subDict("O")); O *= O.W(); + + // Products (mole-based) + thermo CO2(thermoData.subDict("CO2")); CO2 *= CO2.W(); + thermo H2O(thermoData.subDict("H2O")); H2O *= H2O.W(); + thermo CO(thermoData.subDict("CO")); CO *= CO.W(); SLPtrList EQreactions; EQreactions.append ( - new thermo - ( - thermo(thermoData.subDict("CO2")) - == - thermo(thermoData.subDict("CO")) - + 0.5*thermo(thermoData.subDict("O2")) - ) + new thermo(CO2 == CO + 0.5*O2) ); EQreactions.append ( - new thermo - ( - thermo(thermoData.subDict("O2")) - == - 2.0*thermo(thermoData.subDict("O")) - ) + new thermo(O2 == 2*O) ); EQreactions.append ( - new thermo - ( - thermo(thermoData.subDict("H2O")) - == - thermo(thermoData.subDict("H2")) - + 0.5*thermo(thermoData.subDict("O2")) - ) + new thermo(H2O == H2 + 0.5*O2) ); EQreactions.append ( - new thermo - ( - thermo(thermoData.subDict("H2O")) - == - thermo(thermoData.subDict("H")) - + thermo(thermoData.subDict("OH")) - ) + new thermo(H2O == H + OH) ); diff --git a/applications/utilities/thermophysical/equilibriumFlameT/equilibriumFlameT.C b/applications/utilities/thermophysical/equilibriumFlameT/equilibriumFlameT.C index e95e74819..c24b3693e 100644 --- a/applications/utilities/thermophysical/equilibriumFlameT/equilibriumFlameT.C +++ b/applications/utilities/thermophysical/equilibriumFlameT/equilibriumFlameT.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -100,25 +100,27 @@ int main(int argc, char *argv[]) Info<< nl << "Reading thermodynamic data for relevant species" << nl << endl; - // Reactants - thermo FUEL(thermoData.subDict(fuelName)); - thermo O2(thermoData.subDict("O2")); - thermo N2(thermoData.subDict("N2")); + // Reactants (mole-based) + thermo FUEL(thermoData.subDict(fuelName)); FUEL *= FUEL.W(); - // Products - thermo CO2(thermoData.subDict("CO2")); - thermo H2O(thermoData.subDict("H2O")); + // Oxidant (mole-based) + thermo O2(thermoData.subDict("O2")); O2 *= O2.W(); + thermo N2(thermoData.subDict("N2")); N2 *= N2.W(); - // Product fragments - thermo CO(thermoData.subDict("CO")); - thermo H2(thermoData.subDict("H2")); + // Intermediates (mole-based) + thermo H2(thermoData.subDict("H2")); H2 *= H2.W(); + + // Products (mole-based) + thermo CO2(thermoData.subDict("CO2")); CO2 *= CO2.W(); + thermo H2O(thermoData.subDict("H2O")); H2O *= H2O.W(); + thermo CO(thermoData.subDict("CO")); CO *= CO.W(); // Product dissociation reactions thermo CO2BreakUp ( - CO2 == CO + 0.5* O2 + CO2 == CO + 0.5*O2 ); thermo H2OBreakUp @@ -145,7 +147,7 @@ int main(int argc, char *argv[]) ( "stoichiometricAirFuelMassRatio", dimless, - (oxidant.W()*oxidant.nMoles())/FUEL.W() + oxidant.Y()/FUEL.W() ); Info<< "stoichiometricAirFuelMassRatio " @@ -209,7 +211,6 @@ int main(int argc, char *argv[]) // Iteration loop for adiabatic flame temperature for (int j=0; j<20; j++) { - if (j > 0) { co = co2* diff --git a/etc/templates/compressibleInflowOutflow/constant/thermophysicalProperties b/etc/templates/compressibleInflowOutflow/constant/thermophysicalProperties index 691d73fdd..9c4f1daea 100644 --- a/etc/templates/compressibleInflowOutflow/constant/thermophysicalProperties +++ b/etc/templates/compressibleInflowOutflow/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture // air at room temperature (293 K) { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/etc/thermoData/thermoData b/etc/thermoData/thermoData index dddc4e85f..d7b7827e6 100644 --- a/etc/thermoData/thermoData +++ b/etc/thermoData/thermoData @@ -28,7 +28,6 @@ PF5 { specie { - nMoles 1; molWeight 125.966; } thermodynamics @@ -44,7 +43,6 @@ T-C3H5_CH3C*=CH2 { specie { - nMoles 1; molWeight 41.0733; } thermodynamics @@ -60,7 +58,6 @@ C3H8S_PropanThiol { specie { - nMoles 1; molWeight 76.1612; } thermodynamics @@ -76,7 +73,6 @@ MgS(cr) { specie { - nMoles 1; molWeight 56.376; } thermodynamics @@ -92,7 +88,6 @@ Fe(d) { specie { - nMoles 1; molWeight 55.847; } thermodynamics @@ -108,7 +103,6 @@ Bi(S) { specie { - nMoles 1; molWeight 208.98; } thermodynamics @@ -124,7 +118,6 @@ C2H2_Vinylidene { specie { - nMoles 1; molWeight 26.0382; } thermodynamics @@ -140,7 +133,6 @@ Pb- { specie { - nMoles 1; molWeight 207.191; } thermodynamics @@ -156,7 +148,6 @@ GeCl4 { specie { - nMoles 1; molWeight 214.402; } thermodynamics @@ -172,7 +163,6 @@ C7H15_n-heptyl { specie { - nMoles 1; molWeight 99.1976; } thermodynamics @@ -188,7 +178,6 @@ C17H33O2_C16-Rad { specie { - nMoles 1; molWeight 269.451; } thermodynamics @@ -204,7 +193,6 @@ C4H9O_T_butoxy_r { specie { - nMoles 1; molWeight 73.1157; } thermodynamics @@ -220,7 +208,6 @@ C2H2O4_Oxalic_ac { specie { - nMoles 1; molWeight 90.0358; } thermodynamics @@ -236,7 +223,6 @@ Fe2O3(S) { specie { - nMoles 1; molWeight 159.692; } thermodynamics @@ -252,7 +238,6 @@ s-*CH2NH2 { specie { - nMoles 1; molWeight 30.0497; } thermodynamics @@ -268,7 +253,6 @@ C7H7+__C6H5CH2*+ { specie { - nMoles 1; molWeight 91.1333; } thermodynamics @@ -284,7 +268,6 @@ S(L) { specie { - nMoles 1; molWeight 320.64; } thermodynamics @@ -300,7 +283,6 @@ C5H4__1,2,4-cycl { specie { - nMoles 1; molWeight 64.0876; } thermodynamics @@ -316,7 +298,6 @@ PF2- { specie { - nMoles 1; molWeight 68.9711; } thermodynamics @@ -332,7 +313,6 @@ Br_Bromine_atom { specie { - nMoles 1; molWeight 79.9009; } thermodynamics @@ -348,7 +328,6 @@ C6H3Cl3O_linear { specie { - nMoles 1; molWeight 197.449; } thermodynamics @@ -364,7 +343,6 @@ C4H5+_CH3CC=CH2*+ { specie { - nMoles 1; molWeight 53.0839; } thermodynamics @@ -380,7 +358,6 @@ C4H9O_i-butoxy_r { specie { - nMoles 1; molWeight 73.1157; } thermodynamics @@ -396,7 +373,6 @@ C10H18_Bicypentyl { specie { - nMoles 1; molWeight 138.255; } thermodynamics @@ -412,7 +388,6 @@ CDO { specie { - nMoles 1; molWeight 30.0247; } thermodynamics @@ -428,7 +403,6 @@ P-CHLOROPHENYL { specie { - nMoles 1; molWeight 111.552; } thermodynamics @@ -444,7 +418,6 @@ Ni3S4(cr) { specie { - nMoles 1; molWeight 304.386; } thermodynamics @@ -460,7 +433,6 @@ C2HBr2_Radical { specie { - nMoles 1; molWeight 184.832; } thermodynamics @@ -476,7 +448,6 @@ NOO-___anion { specie { - nMoles 1; molWeight 46.006; } thermodynamics @@ -492,7 +463,6 @@ C10H21,n-decyl { specie { - nMoles 1; molWeight 141.279; } thermodynamics @@ -508,7 +478,6 @@ H2 { specie { - nMoles 1; molWeight 2.01594; } thermodynamics @@ -524,7 +493,6 @@ F2O-__FOF- { specie { - nMoles 1; molWeight 53.9967; } thermodynamics @@ -540,7 +508,6 @@ CCl { specie { - nMoles 1; molWeight 47.4642; } thermodynamics @@ -556,7 +523,6 @@ AlCl+ { specie { - nMoles 1; molWeight 62.434; } thermodynamics @@ -572,7 +538,6 @@ C20H36O2_EtLinolea { specie { - nMoles 1; molWeight 308.509; } thermodynamics @@ -588,7 +553,6 @@ Cl2O__Cl-O-Cl { specie { - nMoles 1; molWeight 86.9054; } thermodynamics @@ -604,7 +568,6 @@ C6H8O_3,4DiMeFuran { specie { - nMoles 1; molWeight 96.1301; } thermodynamics @@ -620,7 +583,6 @@ NH4ClO4(II) { specie { - nMoles 1; molWeight 117.489; } thermodynamics @@ -636,7 +598,6 @@ C5H12O_3-Pentanol { specie { - nMoles 1; molWeight 88.1508; } thermodynamics @@ -652,7 +613,6 @@ C14H12_t-Stilbene { specie { - nMoles 1; molWeight 180.252; } thermodynamics @@ -668,7 +628,6 @@ K(L) { specie { - nMoles 1; molWeight 39.102; } thermodynamics @@ -684,7 +643,6 @@ C3H7NO2_Nitropro { specie { - nMoles 1; molWeight 89.0947; } thermodynamics @@ -700,7 +658,6 @@ C3H6S__THIETHANE { specie { - nMoles 1; molWeight 74.1453; } thermodynamics @@ -716,7 +673,6 @@ CH3NH-_radical_a { specie { - nMoles 1; molWeight 30.0503; } thermodynamics @@ -732,7 +688,6 @@ C9H7_INDENYL_RAD { specie { - nMoles 1; molWeight 115.156; } thermodynamics @@ -748,7 +703,6 @@ PbBr4 { specie { - nMoles 1; molWeight 526.794; } thermodynamics @@ -764,7 +718,6 @@ C3N2O__NCO-CO-CN { specie { - nMoles 1; molWeight 80.0463; } thermodynamics @@ -780,7 +733,6 @@ C6H14O_1-hexanol { specie { - nMoles 1; molWeight 102.178; } thermodynamics @@ -796,7 +748,6 @@ C17H31O2_Palmitole { specie { - nMoles 1; molWeight 267.435; } thermodynamics @@ -812,7 +763,6 @@ C2H5NO3_EtNitrate { specie { - nMoles 1; molWeight 91.067; } thermodynamics @@ -828,7 +778,6 @@ Bi2O3_O=Bi-O-Bi=O { specie { - nMoles 1; molWeight 465.958; } thermodynamics @@ -844,7 +793,6 @@ C4H6O2_MeAcrylat { specie { - nMoles 1; molWeight 86.0912; } thermodynamics @@ -860,7 +808,6 @@ C8H9+_1,3MeC6H4CH2 { specie { - nMoles 1; molWeight 105.16; } thermodynamics @@ -876,7 +823,6 @@ C2H2I2_trans { specie { - nMoles 1; molWeight 279.847; } thermodynamics @@ -892,7 +838,6 @@ C60 { specie { - nMoles 1; molWeight 720.669; } thermodynamics @@ -908,7 +853,6 @@ HCl { specie { - nMoles 1; molWeight 36.461; } thermodynamics @@ -924,7 +868,6 @@ C10H21_3by4-decyl { specie { - nMoles 1; molWeight 141.279; } thermodynamics @@ -940,7 +883,6 @@ CH2F { specie { - nMoles 1; molWeight 33.0255; } thermodynamics @@ -956,7 +898,6 @@ HNOH_cis__ATcT_C { specie { - nMoles 1; molWeight 32.022; } thermodynamics @@ -972,7 +913,6 @@ NH2CH2C(O)OH { specie { - nMoles 1; molWeight 75.0677; } thermodynamics @@ -988,7 +928,6 @@ HNO2_equil__ATcT { specie { - nMoles 1; molWeight 47.0135; } thermodynamics @@ -1004,7 +943,6 @@ FeCl3(L) { specie { - nMoles 1; molWeight 162.206; } thermodynamics @@ -1020,7 +958,6 @@ C3H2Br2__1,3_Dib { specie { - nMoles 1; molWeight 197.851; } thermodynamics @@ -1036,7 +973,6 @@ C4H8N8O8_HMX { specie { - nMoles 1; molWeight 296.157; } thermodynamics @@ -1052,7 +988,6 @@ SnCl4 { specie { - nMoles 1; molWeight 260.502; } thermodynamics @@ -1068,7 +1003,6 @@ C6H11_2M-1ENE-5YL { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -1084,7 +1018,6 @@ C5H2Cl3_VinAllenyl { specie { - nMoles 1; molWeight 168.431; } thermodynamics @@ -1100,7 +1033,6 @@ PS { specie { - nMoles 1; molWeight 63.0378; } thermodynamics @@ -1116,7 +1048,6 @@ BCl3 { specie { - nMoles 1; molWeight 117.17; } thermodynamics @@ -1132,7 +1063,6 @@ C2H4F2__HFC-152a { specie { - nMoles 1; molWeight 66.051; } thermodynamics @@ -1148,7 +1078,6 @@ MgF { specie { - nMoles 1; molWeight 43.3104; } thermodynamics @@ -1164,7 +1093,6 @@ BO- { specie { - nMoles 1; molWeight 26.8109; } thermodynamics @@ -1180,7 +1108,6 @@ C15H30___1-penta { specie { - nMoles 1; molWeight 210.406; } thermodynamics @@ -1196,7 +1123,6 @@ B2O3 { specie { - nMoles 1; molWeight 69.6202; } thermodynamics @@ -1212,7 +1138,6 @@ s-1-C10H7-C*=CH2 { specie { - nMoles 1; molWeight 153.206; } thermodynamics @@ -1228,7 +1153,6 @@ CS { specie { - nMoles 1; molWeight 44.0752; } thermodynamics @@ -1244,7 +1168,6 @@ C5H11OH__1-penta { specie { - nMoles 1; molWeight 88.1508; } thermodynamics @@ -1260,7 +1183,6 @@ H2NN+_Isodiazene+ { specie { - nMoles 1; molWeight 30.0288; } thermodynamics @@ -1276,7 +1198,6 @@ C+ { specie { - nMoles 1; molWeight 12.0106; } thermodynamics @@ -1292,7 +1213,6 @@ C10H10_2-meIndene { specie { - nMoles 1; molWeight 130.191; } thermodynamics @@ -1308,7 +1228,6 @@ C7H16O_neo-C7H16O { specie { - nMoles 1; molWeight 116.205; } thermodynamics @@ -1324,7 +1243,6 @@ C6H5F+__Cation { specie { - nMoles 1; molWeight 96.1046; } thermodynamics @@ -1340,7 +1258,6 @@ N2H- { specie { - nMoles 1; molWeight 29.0219; } thermodynamics @@ -1356,7 +1273,6 @@ C6H10_1,3-Hexadien { specie { - nMoles 1; molWeight 82.1466; } thermodynamics @@ -1372,7 +1288,6 @@ C9H17_1-nonenyl-4 { specie { - nMoles 1; molWeight 125.236; } thermodynamics @@ -1388,7 +1303,6 @@ C10H7-CCH { specie { - nMoles 1; molWeight 152.198; } thermodynamics @@ -1404,7 +1318,6 @@ C2H4O2_HG(O)OCH3 { specie { - nMoles 1; molWeight 60.053; } thermodynamics @@ -1420,7 +1333,6 @@ B3O3Cl3 { specie { - nMoles 1; molWeight 186.79; } thermodynamics @@ -1436,7 +1348,6 @@ C3Cl4_PerClAllene { specie { - nMoles 1; molWeight 177.845; } thermodynamics @@ -1452,7 +1363,6 @@ Al2O3(L) { specie { - nMoles 1; molWeight 101.961; } thermodynamics @@ -1468,7 +1378,6 @@ C13H10__Fluorene { specie { - nMoles 1; molWeight 166.225; } thermodynamics @@ -1484,7 +1393,6 @@ C5H9N__Cy { specie { - nMoles 1; molWeight 83.1342; } thermodynamics @@ -1500,7 +1408,6 @@ C6H4Cl2_p-Clbenzen { specie { - nMoles 1; molWeight 147.005; } thermodynamics @@ -1516,7 +1423,6 @@ NITRO-BENZENE { specie { - nMoles 1; molWeight 123.112; } thermodynamics @@ -1532,7 +1438,6 @@ C6H5OH,phenol { specie { - nMoles 1; molWeight 94.1141; } thermodynamics @@ -1548,7 +1453,6 @@ C3Br3_1,2,3_CyRad { specie { - nMoles 1; molWeight 275.736; } thermodynamics @@ -1564,7 +1468,6 @@ s-*CH2NO2 { specie { - nMoles 1; molWeight 60.0326; } thermodynamics @@ -1580,7 +1483,6 @@ C2Cl3F3_FC-113A { specie { - nMoles 1; molWeight 187.377; } thermodynamics @@ -1596,7 +1498,6 @@ C12H9Cl { specie { - nMoles 1; molWeight 188.659; } thermodynamics @@ -1612,7 +1513,6 @@ CH3-O-C(O)-NH2 { specie { - nMoles 1; molWeight 75.0677; } thermodynamics @@ -1628,7 +1528,6 @@ C18H31O2_Linoleate { specie { - nMoles 1; molWeight 279.447; } thermodynamics @@ -1644,7 +1543,6 @@ C6H8O_2,5DiMeFuran { specie { - nMoles 1; molWeight 96.1301; } thermodynamics @@ -1660,7 +1558,6 @@ C8H7_C6H4CH=CH2 { specie { - nMoles 1; molWeight 103.145; } thermodynamics @@ -1676,7 +1573,6 @@ MgClF { specie { - nMoles 1; molWeight 78.7634; } thermodynamics @@ -1692,7 +1588,6 @@ C16H10_Pyrene { specie { - nMoles 1; molWeight 202.258; } thermodynamics @@ -1708,7 +1603,6 @@ SiO2(a-qz) { specie { - nMoles 1; molWeight 60.0848; } thermodynamics @@ -1724,7 +1618,6 @@ s-1-C4H8__1-buten { specie { - nMoles 1; molWeight 56.1084; } thermodynamics @@ -1740,7 +1633,6 @@ C4H6__1,3-butadien { specie { - nMoles 1; molWeight 54.0924; } thermodynamics @@ -1756,7 +1648,6 @@ s-1,2-C6H4_BENZYNE { specie { - nMoles 1; molWeight 76.0988; } thermodynamics @@ -1772,7 +1663,6 @@ C5H10O2_EtPropanoa { specie { - nMoles 1; molWeight 102.134; } thermodynamics @@ -1788,7 +1678,6 @@ C14H14_Bibenzyl { specie { - nMoles 1; molWeight 182.268; } thermodynamics @@ -1804,7 +1693,6 @@ OS(liq) { specie { - nMoles 1; molWeight 190.2; } thermodynamics @@ -1820,7 +1708,6 @@ CH2NH+_MethaneIm { specie { - nMoles 1; molWeight 29.0412; } thermodynamics @@ -1836,7 +1723,6 @@ HS2_anharmonic { specie { - nMoles 1; molWeight 65.136; } thermodynamics @@ -1852,7 +1738,6 @@ CH2__EQUILIBRIUM { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -1868,7 +1753,6 @@ CNH2__triradical { specie { - nMoles 1; molWeight 28.0338; } thermodynamics @@ -1884,7 +1768,6 @@ MgSiO3(I) { specie { - nMoles 1; molWeight 100.396; } thermodynamics @@ -1900,7 +1783,6 @@ C4H7O__*(CH2)3CHO { specie { - nMoles 1; molWeight 71.0998; } thermodynamics @@ -1916,7 +1798,6 @@ HClO3 { specie { - nMoles 1; molWeight 84.4592; } thermodynamics @@ -1932,7 +1813,6 @@ C2H3F3__FC-143A { specie { - nMoles 1; molWeight 84.0414; } thermodynamics @@ -1948,7 +1828,6 @@ C5H10__2MB-1-ene { specie { - nMoles 1; molWeight 70.1355; } thermodynamics @@ -1964,7 +1843,6 @@ C2H3O2_HOCHCH=O { specie { - nMoles 1; molWeight 59.045; } thermodynamics @@ -1980,7 +1858,6 @@ C4H6__1,2-butadi { specie { - nMoles 1; molWeight 54.0924; } thermodynamics @@ -1996,7 +1873,6 @@ CuCl { specie { - nMoles 1; molWeight 98.993; } thermodynamics @@ -2012,7 +1888,6 @@ SO- { specie { - nMoles 1; molWeight 48.0639; } thermodynamics @@ -2028,7 +1903,6 @@ PbCl2 { specie { - nMoles 1; molWeight 278.096; } thermodynamics @@ -2044,7 +1918,6 @@ C12H23O2__7,9 { specie { - nMoles 1; molWeight 199.316; } thermodynamics @@ -2060,7 +1933,6 @@ Fe3O4(S)_Solid-B { specie { - nMoles 1; molWeight 231.539; } thermodynamics @@ -2076,7 +1948,6 @@ C2_triplet { specie { - nMoles 1; molWeight 24.0223; } thermodynamics @@ -2092,7 +1963,6 @@ Zr+ { specie { - nMoles 1; molWeight 91.2195; } thermodynamics @@ -2108,7 +1978,6 @@ SF2+ { specie { - nMoles 1; molWeight 70.0603; } thermodynamics @@ -2124,7 +1993,6 @@ PETN___Solid { specie { - nMoles 1; molWeight 316.139; } thermodynamics @@ -2140,7 +2008,6 @@ C3H3O__CH2=CHC*O { specie { - nMoles 1; molWeight 55.0568; } thermodynamics @@ -2156,7 +2023,6 @@ SB(CH3)2 { specie { - nMoles 1; molWeight 151.82; } thermodynamics @@ -2172,7 +2038,6 @@ BF2Cl { specie { - nMoles 1; molWeight 84.2608; } thermodynamics @@ -2188,7 +2053,6 @@ C2N2_Isocyanogen { specie { - nMoles 1; molWeight 52.0357; } thermodynamics @@ -2204,7 +2068,6 @@ Sb(OH)2 { specie { - nMoles 1; molWeight 155.765; } thermodynamics @@ -2220,7 +2083,6 @@ MgS(L) { specie { - nMoles 1; molWeight 56.376; } thermodynamics @@ -2236,7 +2098,6 @@ C4H6O2_Crotonic_ac { specie { - nMoles 1; molWeight 86.0912; } thermodynamics @@ -2252,7 +2113,6 @@ BOCl { specie { - nMoles 1; molWeight 62.2634; } thermodynamics @@ -2268,7 +2128,6 @@ H { specie { - nMoles 1; molWeight 1.00797; } thermodynamics @@ -2284,7 +2143,6 @@ HNNH+_Trans { specie { - nMoles 1; molWeight 30.0288; } thermodynamics @@ -2300,7 +2158,6 @@ s-*CH2NH2+ { specie { - nMoles 1; molWeight 30.0492; } thermodynamics @@ -2316,7 +2173,6 @@ PbF { specie { - nMoles 1; molWeight 226.188; } thermodynamics @@ -2332,7 +2188,6 @@ C6H12_4MP-2en_tran { specie { - nMoles 1; molWeight 84.1625; } thermodynamics @@ -2348,7 +2203,6 @@ CHBr2F__FC-23 { specie { - nMoles 1; molWeight 191.819; } thermodynamics @@ -2364,7 +2218,6 @@ C8H5_HCC-CH=CH-C { specie { - nMoles 1; molWeight 101.129; } thermodynamics @@ -2380,7 +2233,6 @@ C5H11,pentyl { specie { - nMoles 1; molWeight 71.1434; } thermodynamics @@ -2396,7 +2248,6 @@ AlBr2 { specie { - nMoles 1; molWeight 186.783; } thermodynamics @@ -2412,7 +2263,6 @@ F+ { specie { - nMoles 1; molWeight 18.9979; } thermodynamics @@ -2428,7 +2278,6 @@ CHD2NO2 { specie { - nMoles 1; molWeight 63.0528; } thermodynamics @@ -2444,7 +2293,6 @@ o-C6H4I2 { specie { - nMoles 1; molWeight 329.908; } thermodynamics @@ -2460,7 +2308,6 @@ HS2__RRHO { specie { - nMoles 1; molWeight 65.136; } thermodynamics @@ -2476,7 +2323,6 @@ Al { specie { - nMoles 1; molWeight 26.9815; } thermodynamics @@ -2492,7 +2338,6 @@ N2H2_cis { specie { - nMoles 1; molWeight 30.0293; } thermodynamics @@ -2508,7 +2353,6 @@ O4_cyclo { specie { - nMoles 1; molWeight 63.9976; } thermodynamics @@ -2524,7 +2368,6 @@ BrI { specie { - nMoles 1; molWeight 206.805; } thermodynamics @@ -2540,7 +2383,6 @@ C4H9_t-butyl { specie { - nMoles 1; molWeight 57.1163; } thermodynamics @@ -2556,7 +2398,6 @@ ND3 { specie { - nMoles 1; molWeight 20.049; } thermodynamics @@ -2572,7 +2413,6 @@ CF2- { specie { - nMoles 1; molWeight 50.0085; } thermodynamics @@ -2588,7 +2428,6 @@ Ge(S) { specie { - nMoles 1; molWeight 72.59; } thermodynamics @@ -2604,7 +2443,6 @@ C5H7_1,3-diene-5yl { specie { - nMoles 1; molWeight 67.1115; } thermodynamics @@ -2620,7 +2458,6 @@ C9H12__C(CH=CH2)4 { specie { - nMoles 1; molWeight 120.196; } thermodynamics @@ -2636,7 +2473,6 @@ C2F5___PentaFluo { specie { - nMoles 1; molWeight 119.014; } thermodynamics @@ -2652,7 +2488,6 @@ C5H8O_1-C5H7-3-OH { specie { - nMoles 1; molWeight 84.1189; } thermodynamics @@ -2668,7 +2503,6 @@ PH2- { specie { - nMoles 1; molWeight 32.9903; } thermodynamics @@ -2684,7 +2518,6 @@ C12H5O3Cl4_DOH2 { specie { - nMoles 1; molWeight 338.984; } thermodynamics @@ -2700,7 +2533,6 @@ C2H5O__CH3CH2O* { specie { - nMoles 1; molWeight 45.0616; } thermodynamics @@ -2716,7 +2548,6 @@ C22H44O2_Behenic { specie { - nMoles 1; molWeight 340.595; } thermodynamics @@ -2732,7 +2563,6 @@ Al2 { specie { - nMoles 1; molWeight 53.963; } thermodynamics @@ -2748,7 +2578,6 @@ NaO2(L) { specie { - nMoles 1; molWeight 54.9886; } thermodynamics @@ -2764,7 +2593,6 @@ SiO2(b-crt) { specie { - nMoles 1; molWeight 60.0848; } thermodynamics @@ -2780,7 +2608,6 @@ C2Cl2F2_1,2-trans { specie { - nMoles 1; molWeight 132.925; } thermodynamics @@ -2796,7 +2623,6 @@ C6H5_FULVENYL_RA { specie { - nMoles 1; molWeight 77.1068; } thermodynamics @@ -2812,7 +2638,6 @@ C7H8O2__Guaiacol { specie { - nMoles 1; molWeight 124.141; } thermodynamics @@ -2828,7 +2653,6 @@ MnO_(L) { specie { - nMoles 1; molWeight 70.9374; } thermodynamics @@ -2844,7 +2668,6 @@ C3F8_FC-218 { specie { - nMoles 1; molWeight 188.021; } thermodynamics @@ -2860,7 +2683,6 @@ MgF+ { specie { - nMoles 1; molWeight 43.3099; } thermodynamics @@ -2876,7 +2698,6 @@ C12H4O2Cl4__2378 { specie { - nMoles 1; molWeight 321.976; } thermodynamics @@ -2892,7 +2713,6 @@ C2D6O_dimeether { specie { - nMoles 1; molWeight 52.1063; } thermodynamics @@ -2908,7 +2728,6 @@ C16H29O2_paloleR { specie { - nMoles 1; molWeight 253.408; } thermodynamics @@ -2924,7 +2743,6 @@ N2H { specie { - nMoles 1; molWeight 29.0214; } thermodynamics @@ -2940,7 +2758,6 @@ CH(NO2)3 { specie { - nMoles 1; molWeight 151.036; } thermodynamics @@ -2956,7 +2773,6 @@ S6 { specie { - nMoles 1; molWeight 192.384; } thermodynamics @@ -2972,7 +2788,6 @@ C14H28___1-tetra { specie { - nMoles 1; molWeight 196.379; } thermodynamics @@ -2988,7 +2803,6 @@ H2NN-_Isodiazene- { specie { - nMoles 1; molWeight 30.0299; } thermodynamics @@ -3004,7 +2818,6 @@ GeS2_linear___HF { specie { - nMoles 1; molWeight 136.718; } thermodynamics @@ -3020,7 +2833,6 @@ P2H4 { specie { - nMoles 1; molWeight 65.9795; } thermodynamics @@ -3036,7 +2848,6 @@ C12_linear_singlet { specie { - nMoles 1; molWeight 144.134; } thermodynamics @@ -3052,7 +2863,6 @@ HCNO+_Fulminic_cat { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -3068,7 +2878,6 @@ CH3Cl { specie { - nMoles 1; molWeight 50.4881; } thermodynamics @@ -3084,7 +2893,6 @@ Ni- { specie { - nMoles 1; molWeight 58.7105; } thermodynamics @@ -3100,7 +2908,6 @@ F2O2__F-O-O-F { specie { - nMoles 1; molWeight 69.9956; } thermodynamics @@ -3116,7 +2923,6 @@ C10H14__C5H7-C5H7 { specie { - nMoles 1; molWeight 134.223; } thermodynamics @@ -3132,7 +2938,6 @@ H3PO__HOPH2 { specie { - nMoles 1; molWeight 49.9971; } thermodynamics @@ -3148,7 +2953,6 @@ Mg(L) { specie { - nMoles 1; molWeight 24.312; } thermodynamics @@ -3164,7 +2968,6 @@ C3F3__PerFOroargyl { specie { - nMoles 1; molWeight 93.0286; } thermodynamics @@ -3180,7 +2983,6 @@ Mo(L) { specie { - nMoles 1; molWeight 95.94; } thermodynamics @@ -3196,7 +2998,6 @@ CH2N2O__H2C=N-N=O { specie { - nMoles 1; molWeight 58.0399; } thermodynamics @@ -3212,7 +3013,6 @@ C8H18(L)_isooctane { specie { - nMoles 1; molWeight 114.233; } thermodynamics @@ -3228,7 +3028,6 @@ CBrCl2F___11B1 { specie { - nMoles 1; molWeight 181.816; } thermodynamics @@ -3244,7 +3043,6 @@ N2O5 { specie { - nMoles 1; molWeight 108.01; } thermodynamics @@ -3260,7 +3058,6 @@ H2SO4 { specie { - nMoles 1; molWeight 98.0775; } thermodynamics @@ -3276,7 +3073,6 @@ C2H4O2_acetaldeh { specie { - nMoles 1; molWeight 60.053; } thermodynamics @@ -3292,7 +3088,6 @@ FeS(L) { specie { - nMoles 1; molWeight 87.911; } thermodynamics @@ -3308,7 +3103,6 @@ C7H10_24C5H4(CH3)2 { specie { - nMoles 1; molWeight 94.1578; } thermodynamics @@ -3324,7 +3118,6 @@ CHF__singlet { specie { - nMoles 1; molWeight 32.0175; } thermodynamics @@ -3340,7 +3133,6 @@ C6H2 { specie { - nMoles 1; molWeight 74.0828; } thermodynamics @@ -3356,7 +3148,6 @@ SbF { specie { - nMoles 1; molWeight 140.748; } thermodynamics @@ -3372,7 +3163,6 @@ C2D4O_Acetaldehy { specie { - nMoles 1; molWeight 48.0781; } thermodynamics @@ -3388,7 +3178,6 @@ C8H8___1,3,5,7_Cy { specie { - nMoles 1; molWeight 104.153; } thermodynamics @@ -3404,7 +3193,6 @@ C4H5O2_MeAcrylatR { specie { - nMoles 1; molWeight 85.0833; } thermodynamics @@ -3420,7 +3208,6 @@ B2O { specie { - nMoles 1; molWeight 37.6214; } thermodynamics @@ -3436,7 +3223,6 @@ C8H6S__Benzothyo { specie { - nMoles 1; molWeight 134.201; } thermodynamics @@ -3452,7 +3238,6 @@ Si+ { specie { - nMoles 1; molWeight 28.0855; } thermodynamics @@ -3468,7 +3253,6 @@ SiCl4 { specie { - nMoles 1; molWeight 169.898; } thermodynamics @@ -3484,7 +3268,6 @@ NO2-cyclo_N(OO)- { specie { - nMoles 1; molWeight 46.006; } thermodynamics @@ -3500,7 +3283,6 @@ SiO2(b-qz) { specie { - nMoles 1; molWeight 60.0848; } thermodynamics @@ -3516,7 +3298,6 @@ FeCl2(S) { specie { - nMoles 1; molWeight 126.753; } thermodynamics @@ -3532,7 +3313,6 @@ C18H32O2_Linoleic { specie { - nMoles 1; molWeight 280.455; } thermodynamics @@ -3548,7 +3328,6 @@ N3 { specie { - nMoles 1; molWeight 42.0201; } thermodynamics @@ -3564,7 +3343,6 @@ CH4O2__CH3OOH { specie { - nMoles 1; molWeight 48.0418; } thermodynamics @@ -3580,7 +3358,6 @@ CBr2Cl2 { specie { - nMoles 1; molWeight 242.719; } thermodynamics @@ -3596,7 +3373,6 @@ PN { specie { - nMoles 1; molWeight 44.9805; } thermodynamics @@ -3612,7 +3388,6 @@ C4H4N2_PYRIMIDINE { specie { - nMoles 1; molWeight 80.0899; } thermodynamics @@ -3628,7 +3403,6 @@ C3Br3_Allene_Rad. { specie { - nMoles 1; molWeight 275.736; } thermodynamics @@ -3644,7 +3418,6 @@ BiO { specie { - nMoles 1; molWeight 224.979; } thermodynamics @@ -3660,7 +3433,6 @@ H2O+ { specie { - nMoles 1; molWeight 18.0148; } thermodynamics @@ -3676,7 +3448,6 @@ Fe2Cl6 { specie { - nMoles 1; molWeight 324.412; } thermodynamics @@ -3692,7 +3463,6 @@ CHBr3_Bromoform { specie { - nMoles 1; molWeight 252.722; } thermodynamics @@ -3708,7 +3478,6 @@ BI2 { specie { - nMoles 1; molWeight 264.62; } thermodynamics @@ -3724,7 +3493,6 @@ C2HClF_1,1-ClF { specie { - nMoles 1; molWeight 79.4817; } thermodynamics @@ -3740,7 +3508,6 @@ Mg2F4 { specie { - nMoles 1; molWeight 124.618; } thermodynamics @@ -3756,7 +3523,6 @@ C6H2Cl3O_RAD { specie { - nMoles 1; molWeight 196.441; } thermodynamics @@ -3772,7 +3538,6 @@ I2O__I-I-O { specie { - nMoles 1; molWeight 269.808; } thermodynamics @@ -3788,7 +3553,6 @@ N2H3___Rad. { specie { - nMoles 1; molWeight 31.0373; } thermodynamics @@ -3804,7 +3568,6 @@ BiF2 { specie { - nMoles 1; molWeight 246.977; } thermodynamics @@ -3820,7 +3583,6 @@ AlH3(a)_hexagonal { specie { - nMoles 1; molWeight 30.0054; } thermodynamics @@ -3836,7 +3598,6 @@ C6H9_c_CyHexenyl-3 { specie { - nMoles 1; molWeight 81.1386; } thermodynamics @@ -3852,7 +3613,6 @@ C9_linear_biradi { specie { - nMoles 1; molWeight 108.1; } thermodynamics @@ -3868,7 +3628,6 @@ P+ { specie { - nMoles 1; molWeight 30.9733; } thermodynamics @@ -3884,7 +3643,6 @@ CH3N3_MethylAzyd { specie { - nMoles 1; molWeight 57.0552; } thermodynamics @@ -3900,7 +3658,6 @@ BBr { specie { - nMoles 1; molWeight 90.7119; } thermodynamics @@ -3916,7 +3673,6 @@ C7H7_Cyheptatrien { specie { - nMoles 1; molWeight 91.1338; } thermodynamics @@ -3932,7 +3688,6 @@ MgH2(b) { specie { - nMoles 1; molWeight 26.3279; } thermodynamics @@ -3948,7 +3703,6 @@ n-C20H42_Eicosane { specie { - nMoles 1; molWeight 282.558; } thermodynamics @@ -3964,7 +3718,6 @@ FeS(a) { specie { - nMoles 1; molWeight 87.911; } thermodynamics @@ -3980,7 +3733,6 @@ RDX_Solid_293-47 { specie { - nMoles 1; molWeight 222.118; } thermodynamics @@ -3996,7 +3748,6 @@ I { specie { - nMoles 1; molWeight 126.904; } thermodynamics @@ -4012,7 +3763,6 @@ C2H5O__CH3-O-CH2 { specie { - nMoles 1; molWeight 45.0616; } thermodynamics @@ -4028,7 +3778,6 @@ C8H12_3,6-Dimeth { specie { - nMoles 1; molWeight 108.185; } thermodynamics @@ -4044,7 +3793,6 @@ CCl2F-CHF2 { specie { - nMoles 1; molWeight 152.931; } thermodynamics @@ -4060,7 +3808,6 @@ C4H8S2_1,4_Dithi { specie { - nMoles 1; molWeight 120.236; } thermodynamics @@ -4076,7 +3823,6 @@ C6H5OO_peroxy_rad { specie { - nMoles 1; molWeight 109.106; } thermodynamics @@ -4092,7 +3838,6 @@ CH3OO-__anion { specie { - nMoles 1; molWeight 47.0344; } thermodynamics @@ -4108,7 +3853,6 @@ CH3-CHBr2 { specie { - nMoles 1; molWeight 187.856; } thermodynamics @@ -4124,7 +3868,6 @@ H3O+ { specie { - nMoles 1; molWeight 19.0228; } thermodynamics @@ -4140,7 +3883,6 @@ C3HBr2*1,1-Radical { specie { - nMoles 1; molWeight 196.843; } thermodynamics @@ -4156,7 +3898,6 @@ C2Br2F4__CBrF2-C { specie { - nMoles 1; molWeight 259.818; } thermodynamics @@ -4172,7 +3913,6 @@ C7H8O_CRESOL { specie { - nMoles 1; molWeight 108.141; } thermodynamics @@ -4188,7 +3928,6 @@ FO3F { specie { - nMoles 1; molWeight 85.995; } thermodynamics @@ -4204,7 +3943,6 @@ CH3Br+_cation { specie { - nMoles 1; molWeight 94.9354; } thermodynamics @@ -4220,7 +3958,6 @@ C3H6O__C2H3-O-CH3 { specie { - nMoles 1; molWeight 58.0807; } thermodynamics @@ -4236,7 +3973,6 @@ Ca+ { specie { - nMoles 1; molWeight 40.0795; } thermodynamics @@ -4252,7 +3988,6 @@ FeCl2 { specie { - nMoles 1; molWeight 126.753; } thermodynamics @@ -4268,7 +4003,6 @@ C12H8_Acenaphtyl { specie { - nMoles 1; molWeight 152.198; } thermodynamics @@ -4284,7 +4018,6 @@ PF3Cl2 { specie { - nMoles 1; molWeight 158.875; } thermodynamics @@ -4300,7 +4033,6 @@ Mg2 { specie { - nMoles 1; molWeight 48.624; } thermodynamics @@ -4316,7 +4048,6 @@ O2_singlet { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -4332,7 +4063,6 @@ AlF+ { specie { - nMoles 1; molWeight 45.9794; } thermodynamics @@ -4348,7 +4078,6 @@ B2 { specie { - nMoles 1; molWeight 21.622; } thermodynamics @@ -4364,7 +4093,6 @@ C6H4ClO_o-Cl-pheno { specie { - nMoles 1; molWeight 127.551; } thermodynamics @@ -4380,7 +4108,6 @@ HPO2__HOPO { specie { - nMoles 1; molWeight 63.9806; } thermodynamics @@ -4396,7 +4123,6 @@ CNO { specie { - nMoles 1; molWeight 42.0173; } thermodynamics @@ -4412,7 +4138,6 @@ SB(l) { specie { - nMoles 1; molWeight 0; } thermodynamics @@ -4428,7 +4153,6 @@ CH3Br { specie { - nMoles 1; molWeight 94.936; } thermodynamics @@ -4444,7 +4168,6 @@ DO2- { specie { - nMoles 1; molWeight 34.0134; } thermodynamics @@ -4460,7 +4183,6 @@ CH4-__Anion { specie { - nMoles 1; molWeight 16.0436; } thermodynamics @@ -4476,7 +4198,6 @@ BH5 { specie { - nMoles 1; molWeight 15.8509; } thermodynamics @@ -4492,7 +4213,6 @@ C3F4__PerFAllene { specie { - nMoles 1; molWeight 112.027; } thermodynamics @@ -4508,7 +4228,6 @@ C2F { specie { - nMoles 1; molWeight 43.0207; } thermodynamics @@ -4524,7 +4243,6 @@ C16H33_Hexadecyl { specie { - nMoles 1; molWeight 225.441; } thermodynamics @@ -4540,7 +4258,6 @@ BENZOTRIFUROXAN { specie { - nMoles 1; molWeight 252.103; } thermodynamics @@ -4556,7 +4273,6 @@ CHI2 { specie { - nMoles 1; molWeight 266.828; } thermodynamics @@ -4572,7 +4288,6 @@ C4H2N2__Fumaroni { specie { - nMoles 1; molWeight 78.0739; } thermodynamics @@ -4588,7 +4303,6 @@ O-CHLOROPHENYL { specie { - nMoles 1; molWeight 111.552; } thermodynamics @@ -4604,7 +4318,6 @@ CD3_Methyl-D3 { specie { - nMoles 1; molWeight 18.0535; } thermodynamics @@ -4620,7 +4333,6 @@ C9H12__1-3-5-TMB { specie { - nMoles 1; molWeight 120.196; } thermodynamics @@ -4636,7 +4348,6 @@ C20H14_Alpha_BiN { specie { - nMoles 1; molWeight 254.335; } thermodynamics @@ -4652,7 +4363,6 @@ C2N2_Dicyanogen { specie { - nMoles 1; molWeight 52.0357; } thermodynamics @@ -4668,7 +4378,6 @@ H3B3O6 { specie { - nMoles 1; molWeight 131.453; } thermodynamics @@ -4684,7 +4393,6 @@ N { specie { - nMoles 1; molWeight 14.0067; } thermodynamics @@ -4700,7 +4408,6 @@ NO2F { specie { - nMoles 1; molWeight 65.0039; } thermodynamics @@ -4716,7 +4423,6 @@ CO2- { specie { - nMoles 1; molWeight 44.0105; } thermodynamics @@ -4732,7 +4438,6 @@ PCl3 { specie { - nMoles 1; molWeight 137.333; } thermodynamics @@ -4748,7 +4453,6 @@ Na2O2(a) { specie { - nMoles 1; molWeight 77.9784; } thermodynamics @@ -4764,7 +4468,6 @@ C2D_Ethynyl-D1 { specie { - nMoles 1; molWeight 26.0364; } thermodynamics @@ -4780,7 +4483,6 @@ Zn(L) { specie { - nMoles 1; molWeight 65.37; } thermodynamics @@ -4796,7 +4498,6 @@ GeH3Cl { specie { - nMoles 1; molWeight 111.067; } thermodynamics @@ -4812,7 +4513,6 @@ BrS { specie { - nMoles 1; molWeight 111.965; } thermodynamics @@ -4828,7 +4528,6 @@ C9H18O2_Nonanoic { specie { - nMoles 1; molWeight 158.243; } thermodynamics @@ -4844,7 +4543,6 @@ P2O5 { specie { - nMoles 1; molWeight 141.945; } thermodynamics @@ -4860,7 +4558,6 @@ MoC__Solid-C { specie { - nMoles 1; molWeight 107.951; } thermodynamics @@ -4876,7 +4573,6 @@ CF { specie { - nMoles 1; molWeight 31.0096; } thermodynamics @@ -4892,7 +4588,6 @@ C4H9_isobutyl_rad { specie { - nMoles 1; molWeight 57.1163; } thermodynamics @@ -4908,7 +4603,6 @@ CH3C-_triradical { specie { - nMoles 1; molWeight 27.0468; } thermodynamics @@ -4924,7 +4618,6 @@ CF3 { specie { - nMoles 1; molWeight 69.0063; } thermodynamics @@ -4940,7 +4633,6 @@ CH2N2_H2N-CN { specie { - nMoles 1; molWeight 42.0405; } thermodynamics @@ -4956,7 +4648,6 @@ C12H4Cl4O_2468 { specie { - nMoles 1; molWeight 305.977; } thermodynamics @@ -4972,7 +4663,6 @@ F2H-____FHF- { specie { - nMoles 1; molWeight 39.0053; } thermodynamics @@ -4988,7 +4678,6 @@ C6H3Cl3O_TriClPhen { specie { - nMoles 1; molWeight 197.449; } thermodynamics @@ -5004,7 +4693,6 @@ SiC { specie { - nMoles 1; molWeight 40.0971; } thermodynamics @@ -5020,7 +4708,6 @@ SbOH_tripet { specie { - nMoles 1; molWeight 138.757; } thermodynamics @@ -5036,7 +4723,6 @@ N2O { specie { - nMoles 1; molWeight 44.0128; } thermodynamics @@ -5052,7 +4738,6 @@ Tetryl_Solid_Yin { specie { - nMoles 1; molWeight 287.147; } thermodynamics @@ -5068,7 +4753,6 @@ C8H18,isooctane { specie { - nMoles 1; molWeight 114.233; } thermodynamics @@ -5084,7 +4768,6 @@ C5H10__2-Pentene { specie { - nMoles 1; molWeight 70.1355; } thermodynamics @@ -5100,7 +4783,6 @@ C6_linear_biradi { specie { - nMoles 1; molWeight 72.0669; } thermodynamics @@ -5116,7 +4798,6 @@ s-1,2-C7H5NS1,2-Be { specie { - nMoles 1; molWeight 135.189; } thermodynamics @@ -5132,7 +4813,6 @@ C8H_linear { specie { - nMoles 1; molWeight 97.0972; } thermodynamics @@ -5148,7 +4828,6 @@ CH3OH-_anion { specie { - nMoles 1; molWeight 32.043; } thermodynamics @@ -5164,7 +4843,6 @@ CF3O_Radical { specie { - nMoles 1; molWeight 85.0057; } thermodynamics @@ -5180,7 +4858,6 @@ C5H10O2_Peroxy-en { specie { - nMoles 1; molWeight 102.134; } thermodynamics @@ -5196,7 +4873,6 @@ SO3 { specie { - nMoles 1; molWeight 80.0622; } thermodynamics @@ -5212,7 +4888,6 @@ F2- { specie { - nMoles 1; molWeight 37.9973; } thermodynamics @@ -5228,7 +4903,6 @@ C2H4O_vinyl_alco { specie { - nMoles 1; molWeight 44.0536; } thermodynamics @@ -5244,7 +4918,6 @@ H2O2(L) { specie { - nMoles 1; molWeight 34.0147; } thermodynamics @@ -5260,7 +4933,6 @@ C3Cl3_triClallene { specie { - nMoles 1; molWeight 142.392; } thermodynamics @@ -5276,7 +4948,6 @@ PH2 { specie { - nMoles 1; molWeight 32.9897; } thermodynamics @@ -5292,7 +4963,6 @@ C5H6_1-ene-3yne, { specie { - nMoles 1; molWeight 66.1036; } thermodynamics @@ -5308,7 +4978,6 @@ C9H19_n-nonyl { specie { - nMoles 1; molWeight 127.252; } thermodynamics @@ -5324,7 +4993,6 @@ NiO(liq) { specie { - nMoles 1; molWeight 74.7094; } thermodynamics @@ -5340,7 +5008,6 @@ S-C5H11_1m-butyl { specie { - nMoles 1; molWeight 71.1434; } thermodynamics @@ -5356,7 +5023,6 @@ s-1,2-C2H2F2-cis { specie { - nMoles 1; molWeight 64.035; } thermodynamics @@ -5372,7 +5038,6 @@ B { specie { - nMoles 1; molWeight 10.811; } thermodynamics @@ -5388,7 +5053,6 @@ C2H2F4_1,1,2,2 { specie { - nMoles 1; molWeight 102.032; } thermodynamics @@ -5404,7 +5068,6 @@ C9H__linear { specie { - nMoles 1; molWeight 109.108; } thermodynamics @@ -5420,7 +5083,6 @@ C18H34O3_RicinOlei { specie { - nMoles 1; molWeight 298.47; } thermodynamics @@ -5436,7 +5098,6 @@ P { specie { - nMoles 1; molWeight 30.9738; } thermodynamics @@ -5452,7 +5113,6 @@ C4H7__cyclobutyl { specie { - nMoles 1; molWeight 55.1004; } thermodynamics @@ -5468,7 +5128,6 @@ C5H6_Vinyl-Allene { specie { - nMoles 1; molWeight 66.1036; } thermodynamics @@ -5484,7 +5143,6 @@ CT3__methyl_T-3 { specie { - nMoles 1; molWeight 155.711; } thermodynamics @@ -5500,7 +5158,6 @@ Sn(CH3)4 { specie { - nMoles 1; molWeight 178.83; } thermodynamics @@ -5516,7 +5173,6 @@ BiH3 { specie { - nMoles 1; molWeight 212.004; } thermodynamics @@ -5532,7 +5188,6 @@ HCCO_Ketyl_radical { specie { - nMoles 1; molWeight 41.0297; } thermodynamics @@ -5548,7 +5203,6 @@ CD4__RRHO { specie { - nMoles 1; molWeight 20.0676; } thermodynamics @@ -5564,7 +5218,6 @@ NH2__AMIDOGEN_RAD { specie { - nMoles 1; molWeight 16.0226; } thermodynamics @@ -5580,7 +5233,6 @@ C18H30O2_Linolenic { specie { - nMoles 1; molWeight 278.439; } thermodynamics @@ -5596,7 +5248,6 @@ C2H2FCl_1,1-FCl { specie { - nMoles 1; molWeight 80.4896; } thermodynamics @@ -5612,7 +5263,6 @@ Al(L) { specie { - nMoles 1; molWeight 26.9815; } thermodynamics @@ -5628,7 +5278,6 @@ C10H7-CH2CH2* { specie { - nMoles 1; molWeight 155.221; } thermodynamics @@ -5644,7 +5293,6 @@ BF2+ { specie { - nMoles 1; molWeight 48.8073; } thermodynamics @@ -5660,7 +5308,6 @@ C3H5O__*CH2C2H3O { specie { - nMoles 1; molWeight 57.0727; } thermodynamics @@ -5676,7 +5323,6 @@ CP { specie { - nMoles 1; molWeight 42.9849; } thermodynamics @@ -5692,7 +5338,6 @@ C7H5N___PhenylCN { specie { - nMoles 1; molWeight 103.125; } thermodynamics @@ -5708,7 +5353,6 @@ ND { specie { - nMoles 1; molWeight 16.0208; } thermodynamics @@ -5724,7 +5368,6 @@ Br+ { specie { - nMoles 1; molWeight 79.9004; } thermodynamics @@ -5740,7 +5383,6 @@ C4H5O__EtKetene { specie { - nMoles 1; molWeight 69.0838; } thermodynamics @@ -5756,7 +5398,6 @@ Ni3S2(b) { specie { - nMoles 1; molWeight 240.258; } thermodynamics @@ -5772,7 +5413,6 @@ C3F7_CF3CF*CF3_M { specie { - nMoles 1; molWeight 169.022; } thermodynamics @@ -5788,7 +5428,6 @@ C12H4Cl6O2_BIFENYL { specie { - nMoles 1; molWeight 392.882; } thermodynamics @@ -5804,7 +5443,6 @@ NH4NO3(I) { specie { - nMoles 1; molWeight 80.0435; } thermodynamics @@ -5820,7 +5458,6 @@ CH2OH+ { specie { - nMoles 1; molWeight 31.0339; } thermodynamics @@ -5836,7 +5473,6 @@ PCl2- { specie { - nMoles 1; molWeight 101.88; } thermodynamics @@ -5852,7 +5488,6 @@ HSO2__HO-SO { specie { - nMoles 1; molWeight 65.0708; } thermodynamics @@ -5868,7 +5503,6 @@ C19H40_NanoDecane { specie { - nMoles 1; molWeight 268.531; } thermodynamics @@ -5884,7 +5518,6 @@ CH3N2_cy(-CH*N=NH- { specie { - nMoles 1; molWeight 43.0485; } thermodynamics @@ -5900,7 +5533,6 @@ Ag_liq { specie { - nMoles 1; molWeight 107.87; } thermodynamics @@ -5916,7 +5548,6 @@ C3H7I_1-IodoProp { specie { - nMoles 1; molWeight 169.994; } thermodynamics @@ -5932,7 +5563,6 @@ C7H7O2__p-guyacyl { specie { - nMoles 1; molWeight 123.133; } thermodynamics @@ -5948,7 +5578,6 @@ C6H5_CHAIN { specie { - nMoles 1; molWeight 77.1068; } thermodynamics @@ -5964,7 +5593,6 @@ I2O__I-O-I { specie { - nMoles 1; molWeight 269.808; } thermodynamics @@ -5980,7 +5608,6 @@ C6H13__2-M-2yl { specie { - nMoles 1; molWeight 85.1705; } thermodynamics @@ -5996,7 +5623,6 @@ C2H3O2_*CH2CH=O { specie { - nMoles 1; molWeight 43.0456; } thermodynamics @@ -6012,7 +5638,6 @@ C2Cl2F2_1,2-cis { specie { - nMoles 1; molWeight 132.925; } thermodynamics @@ -6028,7 +5653,6 @@ CHO+ { specie { - nMoles 1; molWeight 29.018; } thermodynamics @@ -6044,7 +5668,6 @@ C6H12_2Me-2en { specie { - nMoles 1; molWeight 84.1625; } thermodynamics @@ -6060,7 +5683,6 @@ Na(cr) { specie { - nMoles 1; molWeight 22.9898; } thermodynamics @@ -6076,7 +5698,6 @@ C5H9O2_MeButyratC2 { specie { - nMoles 1; molWeight 101.126; } thermodynamics @@ -6092,7 +5713,6 @@ SF- { specie { - nMoles 1; molWeight 51.0629; } thermodynamics @@ -6108,7 +5728,6 @@ DT { specie { - nMoles 1; molWeight 49.9141; } thermodynamics @@ -6124,7 +5743,6 @@ C9H7+_C6H5CH=C=CH { specie { - nMoles 1; molWeight 115.156; } thermodynamics @@ -6140,7 +5758,6 @@ C23H48__tricosan { specie { - nMoles 1; molWeight 324.639; } thermodynamics @@ -6156,7 +5773,6 @@ s-1,5-C6H4__cis { specie { - nMoles 1; molWeight 76.0988; } thermodynamics @@ -6172,7 +5788,6 @@ CO3-__gas { specie { - nMoles 1; molWeight 60.0099; } thermodynamics @@ -6188,7 +5803,6 @@ TF_Tritium_Fluor { specie { - nMoles 1; molWeight 66.8984; } thermodynamics @@ -6204,7 +5818,6 @@ HPO3__HOPO2 { specie { - nMoles 1; molWeight 79.98; } thermodynamics @@ -6220,7 +5833,6 @@ C10H20_3-decene- { specie { - nMoles 1; molWeight 140.271; } thermodynamics @@ -6236,7 +5848,6 @@ C3H5Cl__CHCl=CHCH3 { specie { - nMoles 1; molWeight 76.5263; } thermodynamics @@ -6252,7 +5863,6 @@ MgSiO3(II) { specie { - nMoles 1; molWeight 100.396; } thermodynamics @@ -6268,7 +5878,6 @@ BrOBr { specie { - nMoles 1; molWeight 175.801; } thermodynamics @@ -6284,7 +5893,6 @@ S3 { specie { - nMoles 1; molWeight 96.192; } thermodynamics @@ -6300,7 +5908,6 @@ C4H8O_n-Butanal { specie { - nMoles 1; molWeight 72.1078; } thermodynamics @@ -6316,7 +5923,6 @@ C3H3-_CH3CC*- { specie { - nMoles 1; molWeight 39.0579; } thermodynamics @@ -6332,7 +5938,6 @@ C4H9N_PYRROLIDINE { specie { - nMoles 1; molWeight 71.123; } thermodynamics @@ -6348,7 +5953,6 @@ C { specie { - nMoles 1; molWeight 12.0112; } thermodynamics @@ -6364,7 +5968,6 @@ PbCl3 { specie { - nMoles 1; molWeight 313.549; } thermodynamics @@ -6380,7 +5983,6 @@ KNO3(b)_Hexagonal { specie { - nMoles 1; molWeight 101.107; } thermodynamics @@ -6396,7 +5998,6 @@ SH { specie { - nMoles 1; molWeight 33.072; } thermodynamics @@ -6412,7 +6013,6 @@ C6H9_1-C5H7-3-CH2 { specie { - nMoles 1; molWeight 81.1386; } thermodynamics @@ -6428,7 +6028,6 @@ C8H14__cis_Penta { specie { - nMoles 1; molWeight 110.201; } thermodynamics @@ -6444,7 +6043,6 @@ GeS { specie { - nMoles 1; molWeight 104.654; } thermodynamics @@ -6460,7 +6058,6 @@ C8H6O2_BENZODIOXIN { specie { - nMoles 1; molWeight 134.136; } thermodynamics @@ -6476,7 +6073,6 @@ C12H9N__CARBAZOLE { specie { - nMoles 1; molWeight 167.212; } thermodynamics @@ -6492,7 +6088,6 @@ HOOOH { specie { - nMoles 1; molWeight 50.0141; } thermodynamics @@ -6508,7 +6103,6 @@ C4H6O4_Succinic_ac { specie { - nMoles 1; molWeight 118.09; } thermodynamics @@ -6524,7 +6118,6 @@ C24H48O2_Lignocer { specie { - nMoles 1; molWeight 368.649; } thermodynamics @@ -6540,7 +6133,6 @@ Pb(cr) { specie { - nMoles 1; molWeight 207.19; } thermodynamics @@ -6556,7 +6148,6 @@ HOBr { specie { - nMoles 1; molWeight 96.9083; } thermodynamics @@ -6572,7 +6163,6 @@ C12H7_Acenaphtynyl { specie { - nMoles 1; molWeight 151.19; } thermodynamics @@ -6588,7 +6178,6 @@ C5H3Cl3_CY-1,2,4Cl { specie { - nMoles 1; molWeight 169.439; } thermodynamics @@ -6604,7 +6193,6 @@ C3D6_Cyclopropan { specie { - nMoles 1; molWeight 48.1181; } thermodynamics @@ -6620,7 +6208,6 @@ Cl2O2 { specie { - nMoles 1; molWeight 102.905; } thermodynamics @@ -6636,7 +6223,6 @@ PH3+ { specie { - nMoles 1; molWeight 33.9972; } thermodynamics @@ -6652,7 +6238,6 @@ MgAl2O4(cr) { specie { - nMoles 1; molWeight 142.273; } thermodynamics @@ -6668,7 +6253,6 @@ Ca(L) { specie { - nMoles 1; molWeight 40.08; } thermodynamics @@ -6684,7 +6268,6 @@ NO3 { specie { - nMoles 1; molWeight 62.0049; } thermodynamics @@ -6700,7 +6283,6 @@ SiCl { specie { - nMoles 1; molWeight 63.539; } thermodynamics @@ -6716,7 +6298,6 @@ C11N_Cyanoundecyl { specie { - nMoles 1; molWeight 146.129; } thermodynamics @@ -6732,7 +6313,6 @@ s-1-C10H7CH2CH2OH { specie { - nMoles 1; molWeight 172.229; } thermodynamics @@ -6748,7 +6328,6 @@ C6H4O2__O=C6H4=O { specie { - nMoles 1; molWeight 108.098; } thermodynamics @@ -6764,7 +6343,6 @@ C2H3ClO2 { specie { - nMoles 1; molWeight 94.498; } thermodynamics @@ -6780,7 +6358,6 @@ S2F10 { specie { - nMoles 1; molWeight 254.112; } thermodynamics @@ -6796,7 +6373,6 @@ Hg(L) { specie { - nMoles 1; molWeight 200.59; } thermodynamics @@ -6812,7 +6388,6 @@ C12H4Cl5O2_Radic { specie { - nMoles 1; molWeight 357.429; } thermodynamics @@ -6828,7 +6403,6 @@ SiH4__Silane { specie { - nMoles 1; molWeight 32.1179; } thermodynamics @@ -6844,7 +6418,6 @@ C5H10O_2-Me_Furan { specie { - nMoles 1; molWeight 86.1349; } thermodynamics @@ -6860,7 +6433,6 @@ Ge { specie { - nMoles 1; molWeight 72.59; } thermodynamics @@ -6876,7 +6448,6 @@ C5H2Cl3_1,3,4_Cyc { specie { - nMoles 1; molWeight 168.431; } thermodynamics @@ -6892,7 +6463,6 @@ C9H8_INDENE { specie { - nMoles 1; molWeight 116.164; } thermodynamics @@ -6908,7 +6478,6 @@ C4H8O2_Butyricacid { specie { - nMoles 1; molWeight 88.1072; } thermodynamics @@ -6924,7 +6493,6 @@ CF3-CHClF__FC-124 { specie { - nMoles 1; molWeight 136.477; } thermodynamics @@ -6940,7 +6508,6 @@ Ag { specie { - nMoles 1; molWeight 107.87; } thermodynamics @@ -6956,7 +6523,6 @@ AlF2 { specie { - nMoles 1; molWeight 64.9783; } thermodynamics @@ -6972,7 +6538,6 @@ CF3-_anion { specie { - nMoles 1; molWeight 69.0069; } thermodynamics @@ -6988,7 +6553,6 @@ CHO { specie { - nMoles 1; molWeight 29.0185; } thermodynamics @@ -7004,7 +6568,6 @@ C7H14_CY-HEPTANE { specie { - nMoles 1; molWeight 98.1896; } thermodynamics @@ -7020,7 +6583,6 @@ C6H12_2-Me-1en { specie { - nMoles 1; molWeight 84.1625; } thermodynamics @@ -7036,7 +6598,6 @@ C5H10__2MB-3-ene { specie { - nMoles 1; molWeight 70.1355; } thermodynamics @@ -7052,7 +6613,6 @@ C2Br5 { specie { - nMoles 1; molWeight 423.527; } thermodynamics @@ -7068,7 +6628,6 @@ C6H2Cl3O3_BiCy { specie { - nMoles 1; molWeight 228.44; } thermodynamics @@ -7084,7 +6643,6 @@ CBrClF2 { specie { - nMoles 1; molWeight 165.362; } thermodynamics @@ -7100,7 +6658,6 @@ C11H22O2_cis-acid { specie { - nMoles 1; molWeight 186.297; } thermodynamics @@ -7116,7 +6673,6 @@ C8H5_C6H5-CC* { specie { - nMoles 1; molWeight 101.129; } thermodynamics @@ -7132,7 +6688,6 @@ COHCl2___Radical { specie { - nMoles 1; molWeight 99.9245; } thermodynamics @@ -7148,7 +6703,6 @@ C7H6O___C6H5-CHO { specie { - nMoles 1; molWeight 106.125; } thermodynamics @@ -7164,7 +6718,6 @@ C18H12__Naphtace { specie { - nMoles 1; molWeight 228.296; } thermodynamics @@ -7180,7 +6733,6 @@ C17H34O2_mepalmita { specie { - nMoles 1; molWeight 270.459; } thermodynamics @@ -7196,7 +6748,6 @@ C12H20O10_Cellobi { specie { - nMoles 1; molWeight 324.287; } thermodynamics @@ -7212,7 +6763,6 @@ C5H7Cl { specie { - nMoles 1; molWeight 102.565; } thermodynamics @@ -7228,7 +6778,6 @@ C7H16_n-heptane { specie { - nMoles 1; molWeight 100.206; } thermodynamics @@ -7244,7 +6793,6 @@ C8H6O_BENZOFURAN { specie { - nMoles 1; molWeight 118.136; } thermodynamics @@ -7260,7 +6808,6 @@ C10H20O2_cis-acid { specie { - nMoles 1; molWeight 172.27; } thermodynamics @@ -7276,7 +6823,6 @@ CHBr2CHBr2 { specie { - nMoles 1; molWeight 345.642; } thermodynamics @@ -7292,7 +6838,6 @@ C5H4O2_Ketene { specie { - nMoles 1; molWeight 96.0864; } thermodynamics @@ -7308,7 +6853,6 @@ C6D5,phenyl { specie { - nMoles 1; molWeight 82.1374; } thermodynamics @@ -7324,7 +6868,6 @@ NH4NO3(IV) { specie { - nMoles 1; molWeight 80.0435; } thermodynamics @@ -7340,7 +6883,6 @@ C3H2Cl__ClAllene { specie { - nMoles 1; molWeight 73.5024; } thermodynamics @@ -7356,7 +6898,6 @@ C3H5O2_Methyl_ac { specie { - nMoles 1; molWeight 73.0721; } thermodynamics @@ -7372,7 +6913,6 @@ CD___excited_4si { specie { - nMoles 1; molWeight 14.0252; } thermodynamics @@ -7388,7 +6928,6 @@ C14H10__Anthracene { specie { - nMoles 1; molWeight 178.236; } thermodynamics @@ -7404,7 +6943,6 @@ C4H5N__Pyrole_cy { specie { - nMoles 1; molWeight 67.0911; } thermodynamics @@ -7420,7 +6958,6 @@ Bi+ { specie { - nMoles 1; molWeight 208.979; } thermodynamics @@ -7436,7 +6973,6 @@ H2CNO_H2C*N=O { specie { - nMoles 1; molWeight 44.0332; } thermodynamics @@ -7452,7 +6988,6 @@ C11H__linear { specie { - nMoles 1; molWeight 133.131; } thermodynamics @@ -7468,7 +7003,6 @@ C4H7O_C2H5C(O)CH2 { specie { - nMoles 1; molWeight 71.0998; } thermodynamics @@ -7484,7 +7018,6 @@ C6H7__C5H4-1-CH3 { specie { - nMoles 1; molWeight 79.1227; } thermodynamics @@ -7500,7 +7033,6 @@ C3H5Cl_CH2=CHCH2Cl { specie { - nMoles 1; molWeight 76.5263; } thermodynamics @@ -7516,7 +7048,6 @@ Sn { specie { - nMoles 1; molWeight 118.69; } thermodynamics @@ -7532,7 +7063,6 @@ CH3C+_triradical { specie { - nMoles 1; molWeight 27.0457; } thermodynamics @@ -7548,7 +7078,6 @@ CO2_cy__C(OO) { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -7564,7 +7093,6 @@ PbCl4 { specie { - nMoles 1; molWeight 349.002; } thermodynamics @@ -7580,7 +7108,6 @@ C20H40O2_etStearat { specie { - nMoles 1; molWeight 312.541; } thermodynamics @@ -7596,7 +7123,6 @@ PCl { specie { - nMoles 1; molWeight 66.4268; } thermodynamics @@ -7612,7 +7138,6 @@ C3H7N__AZETIDINE { specie { - nMoles 1; molWeight 57.0959; } thermodynamics @@ -7628,7 +7153,6 @@ C2Cl4_Tetrachlor { specie { - nMoles 1; molWeight 165.834; } thermodynamics @@ -7644,7 +7168,6 @@ AlO- { specie { - nMoles 1; molWeight 42.9814; } thermodynamics @@ -7660,7 +7183,6 @@ C5H10_1-pentene { specie { - nMoles 1; molWeight 70.1355; } thermodynamics @@ -7676,7 +7198,6 @@ PT_TritiumPhosphor { specie { - nMoles 1; molWeight 31.9818; } thermodynamics @@ -7692,7 +7213,6 @@ C6H12_1-Hexene { specie { - nMoles 1; molWeight 84.1625; } thermodynamics @@ -7708,7 +7228,6 @@ Ar+ { specie { - nMoles 1; molWeight 39.9475; } thermodynamics @@ -7724,7 +7243,6 @@ C7H5O___C6H5-C*O { specie { - nMoles 1; molWeight 105.117; } thermodynamics @@ -7740,7 +7258,6 @@ CHF3__FLUOROFORM { specie { - nMoles 1; molWeight 70.0143; } thermodynamics @@ -7756,7 +7273,6 @@ BrCl { specie { - nMoles 1; molWeight 115.354; } thermodynamics @@ -7772,7 +7288,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics @@ -7788,7 +7303,6 @@ NO+ { specie { - nMoles 1; molWeight 30.0056; } thermodynamics @@ -7804,7 +7318,6 @@ s-1,3-C3H6S2_cy_di { specie { - nMoles 1; molWeight 106.209; } thermodynamics @@ -7820,7 +7333,6 @@ C- { specie { - nMoles 1; molWeight 12.0117; } thermodynamics @@ -7836,7 +7348,6 @@ C5H12O__3-methyl { specie { - nMoles 1; molWeight 88.1508; } thermodynamics @@ -7852,7 +7363,6 @@ C2H5O__CH2CH2OH { specie { - nMoles 1; molWeight 45.0616; } thermodynamics @@ -7868,7 +7378,6 @@ C2H4 { specie { - nMoles 1; molWeight 28.0542; } thermodynamics @@ -7884,7 +7393,6 @@ CH3CO+__Acetylium { specie { - nMoles 1; molWeight 43.0451; } thermodynamics @@ -7900,7 +7408,6 @@ C6H6_1,5-Hexadiyn { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -7916,7 +7423,6 @@ C10H10_2,2p(C5H5)2 { specie { - nMoles 1; molWeight 130.191; } thermodynamics @@ -7932,7 +7438,6 @@ Mg(OH)2(cr) { specie { - nMoles 1; molWeight 58.3267; } thermodynamics @@ -7948,7 +7453,6 @@ C6H12_trans_3 { specie { - nMoles 1; molWeight 84.1625; } thermodynamics @@ -7964,7 +7468,6 @@ OH_A_2Sigma+ { specie { - nMoles 1; molWeight 17.0074; } thermodynamics @@ -7980,7 +7483,6 @@ SF4+ { specie { - nMoles 1; molWeight 108.057; } thermodynamics @@ -7996,7 +7498,6 @@ CH3OD_Methanol_d1 { specie { - nMoles 1; molWeight 33.0486; } thermodynamics @@ -8012,7 +7513,6 @@ C10_linear_single { specie { - nMoles 1; molWeight 120.112; } thermodynamics @@ -8028,7 +7528,6 @@ CH3COOH { specie { - nMoles 1; molWeight 60.053; } thermodynamics @@ -8044,7 +7543,6 @@ Ca(b) { specie { - nMoles 1; molWeight 40.08; } thermodynamics @@ -8060,7 +7558,6 @@ TCl_Tritium_Chlo { specie { - nMoles 1; molWeight 83.353; } thermodynamics @@ -8076,7 +7573,6 @@ OBrO { specie { - nMoles 1; molWeight 111.9; } thermodynamics @@ -8092,7 +7588,6 @@ C2Br2 { specie { - nMoles 1; molWeight 183.824; } thermodynamics @@ -8108,7 +7603,6 @@ C20H40O2_Archidic { specie { - nMoles 1; molWeight 312.541; } thermodynamics @@ -8124,7 +7618,6 @@ o-C6H3_Radical_Cy { specie { - nMoles 1; molWeight 75.0908; } thermodynamics @@ -8140,7 +7633,6 @@ Pt_(cr) { specie { - nMoles 1; molWeight 195.09; } thermodynamics @@ -8156,7 +7648,6 @@ B2H { specie { - nMoles 1; molWeight 22.63; } thermodynamics @@ -8172,7 +7663,6 @@ C6H10O5_Levogluco { specie { - nMoles 1; molWeight 162.144; } thermodynamics @@ -8188,7 +7678,6 @@ PFCl- { specie { - nMoles 1; molWeight 85.4257; } thermodynamics @@ -8204,7 +7693,6 @@ C9H20(L) { specie { - nMoles 1; molWeight 128.26; } thermodynamics @@ -8220,7 +7708,6 @@ C6H3_CH2=C*-CC-CCH { specie { - nMoles 1; molWeight 75.0908; } thermodynamics @@ -8236,7 +7723,6 @@ s-1-C10H7C*O { specie { - nMoles 1; molWeight 155.178; } thermodynamics @@ -8252,7 +7738,6 @@ CH2ClF__GC-31 { specie { - nMoles 1; molWeight 68.4785; } thermodynamics @@ -8268,7 +7753,6 @@ SbOH_singlet { specie { - nMoles 1; molWeight 138.757; } thermodynamics @@ -8284,7 +7768,6 @@ C24H46O2_Nervonic { specie { - nMoles 1; molWeight 366.633; } thermodynamics @@ -8300,7 +7783,6 @@ C10H10_1-meIndene { specie { - nMoles 1; molWeight 130.191; } thermodynamics @@ -8316,7 +7798,6 @@ SF5+ { specie { - nMoles 1; molWeight 127.055; } thermodynamics @@ -8332,7 +7813,6 @@ C4H8_Cyclobutan { specie { - nMoles 1; molWeight 56.1084; } thermodynamics @@ -8348,7 +7828,6 @@ DCl { specie { - nMoles 1; molWeight 37.4671; } thermodynamics @@ -8364,7 +7843,6 @@ HD+ { specie { - nMoles 1; molWeight 3.02153; } thermodynamics @@ -8380,7 +7858,6 @@ NF3 { specie { - nMoles 1; molWeight 71.0019; } thermodynamics @@ -8396,7 +7873,6 @@ Na+ { specie { - nMoles 1; molWeight 22.9893; } thermodynamics @@ -8412,7 +7888,6 @@ C3HBr2O*__Radical { specie { - nMoles 1; molWeight 212.843; } thermodynamics @@ -8428,7 +7903,6 @@ s-1-C10H7O* { specie { - nMoles 1; molWeight 143.167; } thermodynamics @@ -8444,7 +7918,6 @@ HF { specie { - nMoles 1; molWeight 20.0064; } thermodynamics @@ -8460,7 +7933,6 @@ Pt_(liq) { specie { - nMoles 1; molWeight 195.09; } thermodynamics @@ -8476,7 +7948,6 @@ CNO- { specie { - nMoles 1; molWeight 42.0178; } thermodynamics @@ -8492,7 +7963,6 @@ CO { specie { - nMoles 1; molWeight 28.0106; } thermodynamics @@ -8508,7 +7978,6 @@ HgBr2(cr) { specie { - nMoles 1; molWeight 360.392; } thermodynamics @@ -8524,7 +7993,6 @@ Fe(OH)3(S) { specie { - nMoles 1; molWeight 106.869; } thermodynamics @@ -8540,7 +8008,6 @@ C7H8_Norbornadiene { specie { - nMoles 1; molWeight 92.1418; } thermodynamics @@ -8556,7 +8023,6 @@ C4H3_i-2yl_Rad { specie { - nMoles 1; molWeight 51.0685; } thermodynamics @@ -8572,7 +8038,6 @@ C8H15_1-octenyl- { specie { - nMoles 1; molWeight 111.209; } thermodynamics @@ -8588,7 +8053,6 @@ SiCl3 { specie { - nMoles 1; molWeight 134.445; } thermodynamics @@ -8604,7 +8068,6 @@ C2F6O2_CF3-OO-CF3 { specie { - nMoles 1; molWeight 170.011; } thermodynamics @@ -8620,7 +8083,6 @@ C12H4Cl4O2_1368 { specie { - nMoles 1; molWeight 321.976; } thermodynamics @@ -8636,7 +8098,6 @@ S4 { specie { - nMoles 1; molWeight 128.256; } thermodynamics @@ -8652,7 +8113,6 @@ Ni3S2(a) { specie { - nMoles 1; molWeight 240.258; } thermodynamics @@ -8668,7 +8128,6 @@ C3F7H__FC227EA { specie { - nMoles 1; molWeight 170.03; } thermodynamics @@ -8684,7 +8143,6 @@ HONC { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -8700,7 +8158,6 @@ C13H9__Phenalenyl { specie { - nMoles 1; molWeight 165.217; } thermodynamics @@ -8716,7 +8173,6 @@ NH2-_anion { specie { - nMoles 1; molWeight 16.0232; } thermodynamics @@ -8732,7 +8188,6 @@ CH { specie { - nMoles 1; molWeight 13.0191; } thermodynamics @@ -8748,7 +8203,6 @@ C14H28O2_Myristcac { specie { - nMoles 1; molWeight 228.378; } thermodynamics @@ -8764,7 +8218,6 @@ CH3Cl+_cation { specie { - nMoles 1; molWeight 50.4875; } thermodynamics @@ -8780,7 +8233,6 @@ N2H2_equil_&_trans { specie { - nMoles 1; molWeight 30.0293; } thermodynamics @@ -8796,7 +8248,6 @@ F { specie { - nMoles 1; molWeight 18.9984; } thermodynamics @@ -8812,7 +8263,6 @@ C6H6_BENZENE { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -8828,7 +8278,6 @@ C6H11O2_Caproyl_R { specie { - nMoles 1; molWeight 115.153; } thermodynamics @@ -8844,7 +8293,6 @@ HCO-_Formyl_anion { specie { - nMoles 1; molWeight 29.0191; } thermodynamics @@ -8860,7 +8308,6 @@ H2SO4(L) { specie { - nMoles 1; molWeight 98.0775; } thermodynamics @@ -8876,7 +8323,6 @@ H3PO3__O=PH(OH)2 { specie { - nMoles 1; molWeight 81.9959; } thermodynamics @@ -8892,7 +8338,6 @@ HOT__Water-T1 { specie { - nMoles 1; molWeight 64.9074; } thermodynamics @@ -8908,7 +8353,6 @@ B2O3(cr) { specie { - nMoles 1; molWeight 69.6202; } thermodynamics @@ -8924,7 +8368,6 @@ C7H13_1-hepten4-yl { specie { - nMoles 1; molWeight 97.1817; } thermodynamics @@ -8940,7 +8383,6 @@ Cr7C3(S) { specie { - nMoles 1; molWeight 400.005; } thermodynamics @@ -8956,7 +8398,6 @@ FeCl { specie { - nMoles 1; molWeight 91.3; } thermodynamics @@ -8972,7 +8413,6 @@ PbS(cr) { specie { - nMoles 1; molWeight 239.254; } thermodynamics @@ -8988,7 +8428,6 @@ C9H20O_1-Nonanol { specie { - nMoles 1; molWeight 144.259; } thermodynamics @@ -9004,7 +8443,6 @@ NO2__cyclo_N(OO) { specie { - nMoles 1; molWeight 46.0055; } thermodynamics @@ -9020,7 +8458,6 @@ ZrF2 { specie { - nMoles 1; molWeight 129.217; } thermodynamics @@ -9036,7 +8473,6 @@ C5H7NO__CH3C(O)C { specie { - nMoles 1; molWeight 97.1176; } thermodynamics @@ -9052,7 +8488,6 @@ C6H7+_C5H4-1-CH3 { specie { - nMoles 1; molWeight 79.1221; } thermodynamics @@ -9068,7 +8503,6 @@ PFCl2 { specie { - nMoles 1; molWeight 120.878; } thermodynamics @@ -9084,7 +8518,6 @@ HT { specie { - nMoles 1; molWeight 48.908; } thermodynamics @@ -9100,7 +8533,6 @@ C3D4_Cyclopropen { specie { - nMoles 1; molWeight 44.0898; } thermodynamics @@ -9116,7 +8548,6 @@ ZrN(L) { specie { - nMoles 1; molWeight 105.227; } thermodynamics @@ -9132,7 +8563,6 @@ CO2+ { specie { - nMoles 1; molWeight 44.0094; } thermodynamics @@ -9148,7 +8578,6 @@ s-1-C10H7-C2H5 { specie { - nMoles 1; molWeight 156.229; } thermodynamics @@ -9164,7 +8593,6 @@ SB(s) { specie { - nMoles 1; molWeight 121.75; } thermodynamics @@ -9180,7 +8608,6 @@ CClF2 { specie { - nMoles 1; molWeight 85.4609; } thermodynamics @@ -9196,7 +8623,6 @@ CH2BrF { specie { - nMoles 1; molWeight 112.926; } thermodynamics @@ -9212,7 +8638,6 @@ C7H10_55C5H4(CH3)2 { specie { - nMoles 1; molWeight 94.1578; } thermodynamics @@ -9228,7 +8653,6 @@ C2H2-_Vinylidene- { specie { - nMoles 1; molWeight 26.0388; } thermodynamics @@ -9244,7 +8668,6 @@ C3H3ON_Isoxazole { specie { - nMoles 1; molWeight 69.0635; } thermodynamics @@ -9260,7 +8683,6 @@ C10H16_exo_(JP-10) { specie { - nMoles 1; molWeight 136.239; } thermodynamics @@ -9276,7 +8698,6 @@ C4H8S_T.H.Thiophen { specie { - nMoles 1; molWeight 88.1724; } thermodynamics @@ -9292,7 +8713,6 @@ SF6- { specie { - nMoles 1; molWeight 146.055; } thermodynamics @@ -9308,7 +8728,6 @@ HNO3 { specie { - nMoles 1; molWeight 63.0129; } thermodynamics @@ -9324,7 +8743,6 @@ Zr(a) { specie { - nMoles 1; molWeight 91.22; } thermodynamics @@ -9340,7 +8758,6 @@ CNC { specie { - nMoles 1; molWeight 38.029; } thermodynamics @@ -9356,7 +8773,6 @@ C5H5OH_Cyclo-1,4 { specie { - nMoles 1; molWeight 82.103; } thermodynamics @@ -9372,7 +8788,6 @@ C6H4Cl2_m-Clbenzen { specie { - nMoles 1; molWeight 147.005; } thermodynamics @@ -9388,7 +8803,6 @@ C2H5S_ethyl_thio { specie { - nMoles 1; molWeight 61.1262; } thermodynamics @@ -9404,7 +8818,6 @@ C7H13__Cyheptanyl { specie { - nMoles 1; molWeight 97.1817; } thermodynamics @@ -9420,7 +8833,6 @@ N+ { specie { - nMoles 1; molWeight 14.0062; } thermodynamics @@ -9436,7 +8848,6 @@ C6H11__Cyhexyl { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -9452,7 +8863,6 @@ PbO2 { specie { - nMoles 1; molWeight 239.189; } thermodynamics @@ -9468,7 +8878,6 @@ C(NO)-_cy { specie { - nMoles 1; molWeight 42.0178; } thermodynamics @@ -9484,7 +8893,6 @@ o-C6H5BrO_trans_E { specie { - nMoles 1; molWeight 173.007; } thermodynamics @@ -9500,7 +8908,6 @@ Ir_(g)_Iridium { specie { - nMoles 1; molWeight 192.2; } thermodynamics @@ -9516,7 +8923,6 @@ NO2+ { specie { - nMoles 1; molWeight 46.005; } thermodynamics @@ -9532,7 +8938,6 @@ C2H3Cl { specie { - nMoles 1; molWeight 62.4992; } thermodynamics @@ -9548,7 +8953,6 @@ MgCO3(L) { specie { - nMoles 1; molWeight 84.3213; } thermodynamics @@ -9564,7 +8968,6 @@ Fe(CO)5 { specie { - nMoles 1; molWeight 195.9; } thermodynamics @@ -9580,7 +8983,6 @@ CHClF { specie { - nMoles 1; molWeight 67.4705; } thermodynamics @@ -9596,7 +8998,6 @@ C2H2F3 { specie { - nMoles 1; molWeight 83.0334; } thermodynamics @@ -9612,7 +9013,6 @@ C6H5I+_Iodobenze { specie { - nMoles 1; molWeight 204.011; } thermodynamics @@ -9628,7 +9028,6 @@ C32H14_Ovalene { specie { - nMoles 1; molWeight 398.468; } thermodynamics @@ -9644,7 +9043,6 @@ CBr2_Radical { specie { - nMoles 1; molWeight 171.813; } thermodynamics @@ -9660,7 +9058,6 @@ MnO_(S) { specie { - nMoles 1; molWeight 70.9374; } thermodynamics @@ -9676,7 +9073,6 @@ C2H5N3_Ethyl_Azyd { specie { - nMoles 1; molWeight 71.0823; } thermodynamics @@ -9692,7 +9088,6 @@ C5H8__CycloPente { specie { - nMoles 1; molWeight 68.1195; } thermodynamics @@ -9708,7 +9103,6 @@ CH2N2_cy(-CH=N-NH) { specie { - nMoles 1; molWeight 42.0405; } thermodynamics @@ -9724,7 +9118,6 @@ ZrCl2________GAS { specie { - nMoles 1; molWeight 162.126; } thermodynamics @@ -9740,7 +9133,6 @@ C4H9NO2_Nitrobuta { specie { - nMoles 1; molWeight 103.122; } thermodynamics @@ -9756,7 +9148,6 @@ Cr3C2(S) { specie { - nMoles 1; molWeight 180.01; } thermodynamics @@ -9772,7 +9163,6 @@ PCl5 { specie { - nMoles 1; molWeight 208.239; } thermodynamics @@ -9788,7 +9178,6 @@ N4-_tetrahedral { specie { - nMoles 1; molWeight 56.0273; } thermodynamics @@ -9804,7 +9193,6 @@ O4-_cyclo_anion { specie { - nMoles 1; molWeight 63.9981; } thermodynamics @@ -9820,7 +9208,6 @@ C6H5NO_Nitrosobe { specie { - nMoles 1; molWeight 107.113; } thermodynamics @@ -9836,7 +9223,6 @@ CClF3___FC-13 { specie { - nMoles 1; molWeight 104.459; } thermodynamics @@ -9852,7 +9238,6 @@ P2O4 { specie { - nMoles 1; molWeight 125.945; } thermodynamics @@ -9868,7 +9253,6 @@ CON3___Radical { specie { - nMoles 1; molWeight 70.0307; } thermodynamics @@ -9884,7 +9268,6 @@ C5H6_3-ene-1yne, { specie { - nMoles 1; molWeight 66.1036; } thermodynamics @@ -9900,7 +9283,6 @@ CI2 { specie { - nMoles 1; molWeight 265.82; } thermodynamics @@ -9916,7 +9298,6 @@ NH { specie { - nMoles 1; molWeight 15.0147; } thermodynamics @@ -9932,7 +9313,6 @@ C5H9O2_MeButyratC4 { specie { - nMoles 1; molWeight 101.126; } thermodynamics @@ -9948,7 +9328,6 @@ HNO- { specie { - nMoles 1; molWeight 31.0146; } thermodynamics @@ -9964,7 +9343,6 @@ CHF+ { specie { - nMoles 1; molWeight 32.017; } thermodynamics @@ -9980,7 +9358,6 @@ C10H8__AZULENE { specie { - nMoles 1; molWeight 128.175; } thermodynamics @@ -9996,7 +9373,6 @@ PF2Cl3 { specie { - nMoles 1; molWeight 175.33; } thermodynamics @@ -10012,7 +9388,6 @@ C8_linear_triplet { specie { - nMoles 1; molWeight 96.0892; } thermodynamics @@ -10028,7 +9403,6 @@ CCl3O* { specie { - nMoles 1; molWeight 134.37; } thermodynamics @@ -10044,7 +9418,6 @@ C6H4N4O2_4-Nitro { specie { - nMoles 1; molWeight 164.124; } thermodynamics @@ -10060,7 +9433,6 @@ NiO(cr)A { specie { - nMoles 1; molWeight 74.7094; } thermodynamics @@ -10076,7 +9448,6 @@ C3H6O2_EthylFormat { specie { - nMoles 1; molWeight 74.0801; } thermodynamics @@ -10092,7 +9463,6 @@ C6HCl3OH__3-YL_RAD { specie { - nMoles 1; molWeight 196.441; } thermodynamics @@ -10108,7 +9478,6 @@ s-1,3-C6H4_BENZYNE { specie { - nMoles 1; molWeight 76.0988; } thermodynamics @@ -10124,7 +9493,6 @@ CCl3 { specie { - nMoles 1; molWeight 118.37; } thermodynamics @@ -10140,7 +9508,6 @@ GeCl3 { specie { - nMoles 1; molWeight 178.949; } thermodynamics @@ -10156,7 +9523,6 @@ C14H6N6O12_HNS { specie { - nMoles 1; molWeight 450.237; } thermodynamics @@ -10172,7 +9538,6 @@ SiHCl3 { specie { - nMoles 1; molWeight 135.453; } thermodynamics @@ -10188,7 +9553,6 @@ C3H6O2__Glycidol { specie { - nMoles 1; molWeight 74.0801; } thermodynamics @@ -10204,7 +9568,6 @@ PbS { specie { - nMoles 1; molWeight 239.254; } thermodynamics @@ -10220,7 +9583,6 @@ C2H6S2_(CH3SSCH3) { specie { - nMoles 1; molWeight 94.1981; } thermodynamics @@ -10236,7 +9598,6 @@ PbBr3 { specie { - nMoles 1; molWeight 446.893; } thermodynamics @@ -10252,7 +9613,6 @@ C2H4F2__HFC-152 { specie { - nMoles 1; molWeight 66.051; } thermodynamics @@ -10268,7 +9628,6 @@ PF- { specie { - nMoles 1; molWeight 49.9727; } thermodynamics @@ -10284,7 +9643,6 @@ OCCN { specie { - nMoles 1; molWeight 54.0284; } thermodynamics @@ -10300,7 +9658,6 @@ C6H10,cyclo- { specie { - nMoles 1; molWeight 82.1466; } thermodynamics @@ -10316,7 +9673,6 @@ C5H9O2_RadMeButyr { specie { - nMoles 1; molWeight 101.126; } thermodynamics @@ -10332,7 +9688,6 @@ Mn3O4__Solid-B { specie { - nMoles 1; molWeight 228.812; } thermodynamics @@ -10348,7 +9703,6 @@ C21H42O2_MeArchid { specie { - nMoles 1; molWeight 326.568; } thermodynamics @@ -10364,7 +9718,6 @@ C6H9_b { specie { - nMoles 1; molWeight 81.1386; } thermodynamics @@ -10380,7 +9733,6 @@ C6H12_4MP-2en_cis { specie { - nMoles 1; molWeight 84.1625; } thermodynamics @@ -10396,7 +9748,6 @@ MgTiO3(cr) { specie { - nMoles 1; molWeight 120.21; } thermodynamics @@ -10412,7 +9763,6 @@ P- { specie { - nMoles 1; molWeight 30.9743; } thermodynamics @@ -10428,7 +9778,6 @@ CH3C(O)O-NO2 { specie { - nMoles 1; molWeight 105.051; } thermodynamics @@ -10444,7 +9793,6 @@ C2H2_acetylene { specie { - nMoles 1; molWeight 26.0382; } thermodynamics @@ -10460,7 +9808,6 @@ AlF3 { specie { - nMoles 1; molWeight 83.9767; } thermodynamics @@ -10476,7 +9823,6 @@ H3B3O3 { specie { - nMoles 1; molWeight 83.4551; } thermodynamics @@ -10492,7 +9838,6 @@ CH3I { specie { - nMoles 1; molWeight 141.939; } thermodynamics @@ -10508,7 +9853,6 @@ C12H4Cl4O2_1379 { specie { - nMoles 1; molWeight 321.976; } thermodynamics @@ -10524,7 +9868,6 @@ C3H3N3_TRIAZINE { specie { - nMoles 1; molWeight 81.0775; } thermodynamics @@ -10540,7 +9883,6 @@ C14H9_4-Phenantr { specie { - nMoles 1; molWeight 177.228; } thermodynamics @@ -10556,7 +9898,6 @@ HNNH+_cis { specie { - nMoles 1; molWeight 30.0288; } thermodynamics @@ -10572,7 +9913,6 @@ C2(NO2)6_HexaNit { specie { - nMoles 1; molWeight 300.055; } thermodynamics @@ -10588,7 +9928,6 @@ P2H2 { specie { - nMoles 1; molWeight 63.9635; } thermodynamics @@ -10604,7 +9943,6 @@ FO2__O-F-O { specie { - nMoles 1; molWeight 50.9972; } thermodynamics @@ -10620,7 +9958,6 @@ HCl+ { specie { - nMoles 1; molWeight 36.4604; } thermodynamics @@ -10636,7 +9973,6 @@ C2HBr3 { specie { - nMoles 1; molWeight 264.733; } thermodynamics @@ -10652,7 +9988,6 @@ C10H22O_1-Decanol { specie { - nMoles 1; molWeight 158.286; } thermodynamics @@ -10668,7 +10003,6 @@ C6H10O5_Cellulose { specie { - nMoles 1; molWeight 162.144; } thermodynamics @@ -10684,7 +10018,6 @@ C10H12O3_Coniferyl { specie { - nMoles 1; molWeight 180.205; } thermodynamics @@ -10700,7 +10033,6 @@ H2F2 { specie { - nMoles 1; molWeight 40.0127; } thermodynamics @@ -10716,7 +10048,6 @@ C6H11_2M-2ENE-5YL { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -10732,7 +10063,6 @@ C4H7O_2-Methyl-A { specie { - nMoles 1; molWeight 71.0998; } thermodynamics @@ -10748,7 +10078,6 @@ C5H4N__m-Pyridyl { specie { - nMoles 1; molWeight 78.0943; } thermodynamics @@ -10764,7 +10093,6 @@ SiS2__Solid { specie { - nMoles 1; molWeight 92.214; } thermodynamics @@ -10780,7 +10108,6 @@ SF+ { specie { - nMoles 1; molWeight 51.0619; } thermodynamics @@ -10796,7 +10123,6 @@ s-(HgN3)2 { specie { - nMoles 1; molWeight 485.22; } thermodynamics @@ -10812,7 +10138,6 @@ CH3NO__CH2=NH=O { specie { - nMoles 1; molWeight 45.0412; } thermodynamics @@ -10828,7 +10153,6 @@ C22H14__Pentacen { specie { - nMoles 1; molWeight 278.357; } thermodynamics @@ -10844,7 +10168,6 @@ O { specie { - nMoles 1; molWeight 15.9994; } thermodynamics @@ -10860,7 +10183,6 @@ C4H8,tr2-butene { specie { - nMoles 1; molWeight 56.1084; } thermodynamics @@ -10876,7 +10198,6 @@ SOF2 { specie { - nMoles 1; molWeight 86.0602; } thermodynamics @@ -10892,7 +10213,6 @@ C14H9_9-Phenantr { specie { - nMoles 1; molWeight 177.228; } thermodynamics @@ -10908,7 +10228,6 @@ Ag_cr { specie { - nMoles 1; molWeight 107.87; } thermodynamics @@ -10924,7 +10243,6 @@ C6H5Cl_chlorobenz { specie { - nMoles 1; molWeight 112.56; } thermodynamics @@ -10940,7 +10258,6 @@ C2H2O2__HOCCOH { specie { - nMoles 1; molWeight 58.037; } thermodynamics @@ -10956,7 +10273,6 @@ C2HClF2-1,1 { specie { - nMoles 1; molWeight 98.4801; } thermodynamics @@ -10972,7 +10288,6 @@ ClO2___ClOO*___H { specie { - nMoles 1; molWeight 67.4518; } thermodynamics @@ -10988,7 +10303,6 @@ SO2Cl2 { specie { - nMoles 1; molWeight 134.969; } thermodynamics @@ -11004,7 +10318,6 @@ IR(L) { specie { - nMoles 1; molWeight 192.2; } thermodynamics @@ -11020,7 +10333,6 @@ C18H36O2_Stearic { specie { - nMoles 1; molWeight 284.486; } thermodynamics @@ -11036,7 +10348,6 @@ Mn2O3_(S) { specie { - nMoles 1; molWeight 157.874; } thermodynamics @@ -11052,7 +10363,6 @@ C7_linear_singlet { specie { - nMoles 1; molWeight 84.0781; } thermodynamics @@ -11068,7 +10378,6 @@ C5H { specie { - nMoles 1; molWeight 61.0637; } thermodynamics @@ -11084,7 +10393,6 @@ C6H5O__2,4-cyclo { specie { - nMoles 1; molWeight 93.1061; } thermodynamics @@ -11100,7 +10408,6 @@ C24H12__Coronene { specie { - nMoles 1; molWeight 300.363; } thermodynamics @@ -11116,7 +10423,6 @@ C4H5_2-Butayn-1yl { specie { - nMoles 1; molWeight 53.0845; } thermodynamics @@ -11132,7 +10438,6 @@ GeBr3 { specie { - nMoles 1; molWeight 312.293; } thermodynamics @@ -11148,7 +10453,6 @@ C2H2O+_Ethynol+ { specie { - nMoles 1; molWeight 42.0371; } thermodynamics @@ -11164,7 +10468,6 @@ ZrO2(I) { specie { - nMoles 1; molWeight 123.219; } thermodynamics @@ -11180,7 +10483,6 @@ PbF4 { specie { - nMoles 1; molWeight 283.184; } thermodynamics @@ -11196,7 +10498,6 @@ ZnCl2(G) { specie { - nMoles 1; molWeight 136.276; } thermodynamics @@ -11212,7 +10513,6 @@ C4H5_E-1,3-en-1-yl { specie { - nMoles 1; molWeight 53.0845; } thermodynamics @@ -11228,7 +10528,6 @@ CH3N2O3_H2COHN*NO2 { specie { - nMoles 1; molWeight 91.0467; } thermodynamics @@ -11244,7 +10543,6 @@ P(cr)Red { specie { - nMoles 1; molWeight 30.9738; } thermodynamics @@ -11260,7 +10558,6 @@ CH5N2___CH3N*NH2 { specie { - nMoles 1; molWeight 45.0644; } thermodynamics @@ -11276,7 +10573,6 @@ C2H4+ { specie { - nMoles 1; molWeight 28.0536; } thermodynamics @@ -11292,7 +10588,6 @@ N2D2,cis { specie { - nMoles 1; molWeight 32.0416; } thermodynamics @@ -11308,7 +10603,6 @@ C3HBr2*__Radical { specie { - nMoles 1; molWeight 196.843; } thermodynamics @@ -11324,7 +10618,6 @@ CHN2_cyc(-CH-N=N-) { specie { - nMoles 1; molWeight 41.0325; } thermodynamics @@ -11340,7 +10633,6 @@ C2H3Br_Bromoethy { specie { - nMoles 1; molWeight 106.947; } thermodynamics @@ -11356,7 +10648,6 @@ C4H4O4_Fumaric_aci { specie { - nMoles 1; molWeight 116.074; } thermodynamics @@ -11372,7 +10663,6 @@ C5H9_2-en-1-yl { specie { - nMoles 1; molWeight 69.1275; } thermodynamics @@ -11388,7 +10678,6 @@ NH-_anion { specie { - nMoles 1; molWeight 15.0152; } thermodynamics @@ -11404,7 +10693,6 @@ C2S2__S=C=C=S { specie { - nMoles 1; molWeight 88.1503; } thermodynamics @@ -11420,7 +10708,6 @@ H3F3 { specie { - nMoles 1; molWeight 60.0191; } thermodynamics @@ -11436,7 +10723,6 @@ GeBr2 { specie { - nMoles 1; molWeight 232.392; } thermodynamics @@ -11452,7 +10738,6 @@ BOF2 { specie { - nMoles 1; molWeight 64.8072; } thermodynamics @@ -11468,7 +10753,6 @@ BO2 { specie { - nMoles 1; molWeight 42.8098; } thermodynamics @@ -11484,7 +10768,6 @@ C5H8O2_MeCrotanoat { specie { - nMoles 1; molWeight 100.118; } thermodynamics @@ -11500,7 +10783,6 @@ PFCl4 { specie { - nMoles 1; molWeight 191.784; } thermodynamics @@ -11516,7 +10798,6 @@ C11_linear_Single { specie { - nMoles 1; molWeight 132.123; } thermodynamics @@ -11532,7 +10813,6 @@ T2 { specie { - nMoles 1; molWeight 95.8; } thermodynamics @@ -11548,7 +10828,6 @@ HCHO_Formaldehy { specie { - nMoles 1; molWeight 30.0265; } thermodynamics @@ -11564,7 +10843,6 @@ CH4N4O2_nitrogua { specie { - nMoles 1; molWeight 104.069; } thermodynamics @@ -11580,7 +10858,6 @@ BrO_Bromoxyl_rad { specie { - nMoles 1; molWeight 95.9003; } thermodynamics @@ -11596,7 +10873,6 @@ MgTi2O5(L) { specie { - nMoles 1; molWeight 200.109; } thermodynamics @@ -11612,7 +10888,6 @@ Hg(CNO)2_Fulminat { specie { - nMoles 1; molWeight 284.625; } thermodynamics @@ -11628,7 +10903,6 @@ ZrC(L) { specie { - nMoles 1; molWeight 103.231; } thermodynamics @@ -11644,7 +10918,6 @@ S7 { specie { - nMoles 1; molWeight 224.448; } thermodynamics @@ -11660,7 +10933,6 @@ N2O-_O(NN)-_cycl { specie { - nMoles 1; molWeight 44.0133; } thermodynamics @@ -11676,7 +10948,6 @@ C8H7___n-styryl { specie { - nMoles 1; molWeight 103.145; } thermodynamics @@ -11692,7 +10963,6 @@ ZrO { specie { - nMoles 1; molWeight 107.219; } thermodynamics @@ -11708,7 +10978,6 @@ C2H2O2_Oxyranone { specie { - nMoles 1; molWeight 58.037; } thermodynamics @@ -11724,7 +10993,6 @@ C2H4O_OXYRANE { specie { - nMoles 1; molWeight 44.0536; } thermodynamics @@ -11740,7 +11008,6 @@ s-(CH3)2-N-NH2_U { specie { - nMoles 1; molWeight 60.0995; } thermodynamics @@ -11756,7 +11023,6 @@ NH4NO3(II) { specie { - nMoles 1; molWeight 80.0435; } thermodynamics @@ -11772,7 +11038,6 @@ C3H7NO3_amino_acid { specie { - nMoles 1; molWeight 105.094; } thermodynamics @@ -11788,7 +11053,6 @@ C21H44_n-Heneico { specie { - nMoles 1; molWeight 296.585; } thermodynamics @@ -11804,7 +11068,6 @@ PF { specie { - nMoles 1; molWeight 49.9722; } thermodynamics @@ -11820,7 +11083,6 @@ BrCN+___ATcT_C { specie { - nMoles 1; molWeight 105.918; } thermodynamics @@ -11836,7 +11098,6 @@ CH2+_cation { specie { - nMoles 1; molWeight 14.0265; } thermodynamics @@ -11852,7 +11113,6 @@ C5H7O_Cy_C5H7-O* { specie { - nMoles 1; molWeight 83.1109; } thermodynamics @@ -11868,7 +11128,6 @@ C6H7N_Aniline { specie { - nMoles 1; molWeight 93.1294; } thermodynamics @@ -11884,7 +11143,6 @@ I2(cr) { specie { - nMoles 1; molWeight 253.809; } thermodynamics @@ -11900,7 +11158,6 @@ S8 { specie { - nMoles 1; molWeight 256.512; } thermodynamics @@ -11916,7 +11173,6 @@ N2H4(L)_Hydrazin { specie { - nMoles 1; molWeight 32.0453; } thermodynamics @@ -11932,7 +11188,6 @@ C6H8 { specie { - nMoles 1; molWeight 80.1307; } thermodynamics @@ -11948,7 +11203,6 @@ C6H14_2-MePentan { specie { - nMoles 1; molWeight 86.1785; } thermodynamics @@ -11964,7 +11218,6 @@ Ne+ { specie { - nMoles 1; molWeight 20.1825; } thermodynamics @@ -11980,7 +11233,6 @@ D2O2 { specie { - nMoles 1; molWeight 36.027; } thermodynamics @@ -11996,7 +11248,6 @@ CHCl=CH* { specie { - nMoles 1; molWeight 61.4912; } thermodynamics @@ -12012,7 +11263,6 @@ C3O2 { specie { - nMoles 1; molWeight 68.0323; } thermodynamics @@ -12028,7 +11278,6 @@ C3H3NS_Thiazole { specie { - nMoles 1; molWeight 85.1281; } thermodynamics @@ -12044,7 +11293,6 @@ Zn+ { specie { - nMoles 1; molWeight 65.3695; } thermodynamics @@ -12060,7 +11308,6 @@ C3H3I_CH2=C=CHI { specie { - nMoles 1; molWeight 165.962; } thermodynamics @@ -12076,7 +11323,6 @@ CH2N__H2C=N* { specie { - nMoles 1; molWeight 28.0338; } thermodynamics @@ -12092,7 +11338,6 @@ C4H4__1-butene-3 { specie { - nMoles 1; molWeight 52.0765; } thermodynamics @@ -12108,7 +11353,6 @@ HClO2 { specie { - nMoles 1; molWeight 68.4598; } thermodynamics @@ -12124,7 +11368,6 @@ C4H8O_T.H.Furan { specie { - nMoles 1; molWeight 72.1078; } thermodynamics @@ -12140,7 +11383,6 @@ HNOH- { specie { - nMoles 1; molWeight 32.0226; } thermodynamics @@ -12156,7 +11398,6 @@ C8H8_Benzocybutan { specie { - nMoles 1; molWeight 104.153; } thermodynamics @@ -12172,7 +11413,6 @@ C2H5+__Ethyl_cat { specie { - nMoles 1; molWeight 29.0616; } thermodynamics @@ -12188,7 +11428,6 @@ O+ { specie { - nMoles 1; molWeight 15.9989; } thermodynamics @@ -12204,7 +11443,6 @@ C12H5Cl4O3_Rad { specie { - nMoles 1; molWeight 338.984; } thermodynamics @@ -12220,7 +11458,6 @@ C2D4_Ethylene-D4 { specie { - nMoles 1; molWeight 32.0787; } thermodynamics @@ -12236,7 +11473,6 @@ C6H14_3-MethylPe { specie { - nMoles 1; molWeight 86.1785; } thermodynamics @@ -12252,7 +11488,6 @@ C2H5O_CH3CH*OH { specie { - nMoles 1; molWeight 45.0616; } thermodynamics @@ -12268,7 +11503,6 @@ C3H3Cl_3CyClPropen { specie { - nMoles 1; molWeight 74.5104; } thermodynamics @@ -12284,7 +11518,6 @@ C12H5OCl3O3 { specie { - nMoles 1; molWeight 303.531; } thermodynamics @@ -12300,7 +11533,6 @@ BH { specie { - nMoles 1; molWeight 11.819; } thermodynamics @@ -12316,7 +11548,6 @@ B2Cl4 { specie { - nMoles 1; molWeight 163.434; } thermodynamics @@ -12332,7 +11563,6 @@ C6H6_2,4-Hexadiyn { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -12348,7 +11578,6 @@ C3H3N__CH2=CHCN { specie { - nMoles 1; molWeight 53.0641; } thermodynamics @@ -12364,7 +11593,6 @@ C6H12O_Cy-hexanol { specie { - nMoles 1; molWeight 100.162; } thermodynamics @@ -12380,7 +11608,6 @@ MgSO4(L) { specie { - nMoles 1; molWeight 120.374; } thermodynamics @@ -12396,7 +11623,6 @@ C10H9_fenylbutadie { specie { - nMoles 1; molWeight 129.183; } thermodynamics @@ -12412,7 +11638,6 @@ Zr { specie { - nMoles 1; molWeight 91.22; } thermodynamics @@ -12428,7 +11653,6 @@ C3HCl2*1,1-Radical { specie { - nMoles 1; molWeight 107.947; } thermodynamics @@ -12444,7 +11668,6 @@ PbI2 { specie { - nMoles 1; molWeight 460.999; } thermodynamics @@ -12460,7 +11683,6 @@ NCN- { specie { - nMoles 1; molWeight 40.0251; } thermodynamics @@ -12476,7 +11698,6 @@ C14H9_1-Antryl_R { specie { - nMoles 1; molWeight 177.228; } thermodynamics @@ -12492,7 +11713,6 @@ P(L) { specie { - nMoles 1; molWeight 30.9738; } thermodynamics @@ -12508,7 +11728,6 @@ CH3OO+__cation { specie { - nMoles 1; molWeight 47.0333; } thermodynamics @@ -12524,7 +11743,6 @@ C18H12_Triphenyle { specie { - nMoles 1; molWeight 228.296; } thermodynamics @@ -12540,7 +11758,6 @@ C5H9OH__Cyclopen { specie { - nMoles 1; molWeight 86.1349; } thermodynamics @@ -12556,7 +11773,6 @@ CH3NH2+_cation { specie { - nMoles 1; molWeight 31.0572; } thermodynamics @@ -12572,7 +11788,6 @@ o-C6H4ClO_Radical { specie { - nMoles 1; molWeight 127.551; } thermodynamics @@ -12588,7 +11803,6 @@ C16H34_Hexadecan { specie { - nMoles 1; molWeight 226.449; } thermodynamics @@ -12604,7 +11818,6 @@ Sb2 { specie { - nMoles 1; molWeight 243.5; } thermodynamics @@ -12620,7 +11833,6 @@ Si(cr) { specie { - nMoles 1; molWeight 28.086; } thermodynamics @@ -12636,7 +11848,6 @@ C6H14O_3-Hexanol { specie { - nMoles 1; molWeight 102.178; } thermodynamics @@ -12652,7 +11863,6 @@ C4H6O2_Diacetyl { specie { - nMoles 1; molWeight 86.0912; } thermodynamics @@ -12668,7 +11878,6 @@ Al2O2 { specie { - nMoles 1; molWeight 85.9618; } thermodynamics @@ -12684,7 +11893,6 @@ C4H8O__Methyl_Al { specie { - nMoles 1; molWeight 72.1078; } thermodynamics @@ -12700,7 +11908,6 @@ C7H7+_C5H4*CH=CH2 { specie { - nMoles 1; molWeight 91.1333; } thermodynamics @@ -12716,7 +11923,6 @@ Fe2(SO4)3(S) { specie { - nMoles 1; molWeight 399.879; } thermodynamics @@ -12732,7 +11938,6 @@ BrF5 { specie { - nMoles 1; molWeight 174.893; } thermodynamics @@ -12748,7 +11953,6 @@ Cr(OH)6 { specie { - nMoles 1; molWeight 154.04; } thermodynamics @@ -12764,7 +11968,6 @@ MgCl+ { specie { - nMoles 1; molWeight 59.7645; } thermodynamics @@ -12780,7 +11983,6 @@ C8H16,1-octene { specie { - nMoles 1; molWeight 112.217; } thermodynamics @@ -12796,7 +11998,6 @@ NiO(cr)B { specie { - nMoles 1; molWeight 74.7094; } thermodynamics @@ -12812,7 +12013,6 @@ C2H2O__Oxyrene { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -12828,7 +12028,6 @@ C3H3_allenyl { specie { - nMoles 1; molWeight 39.0574; } thermodynamics @@ -12844,7 +12043,6 @@ C5H9_1buten3m4yl { specie { - nMoles 1; molWeight 69.1275; } thermodynamics @@ -12860,7 +12058,6 @@ SbCl_singlet { specie { - nMoles 1; molWeight 157.203; } thermodynamics @@ -12876,7 +12073,6 @@ C2HBr4_1,1,1,2 { specie { - nMoles 1; molWeight 344.634; } thermodynamics @@ -12892,7 +12088,6 @@ C6H6O__2,4-cyclo { specie { - nMoles 1; molWeight 94.1141; } thermodynamics @@ -12908,7 +12103,6 @@ N4_tetrahedral { specie { - nMoles 1; molWeight 56.0268; } thermodynamics @@ -12924,7 +12118,6 @@ IO3 { specie { - nMoles 1; molWeight 174.903; } thermodynamics @@ -12940,7 +12133,6 @@ C2H4O-__Acetalde { specie { - nMoles 1; molWeight 44.0541; } thermodynamics @@ -12956,7 +12148,6 @@ C9H4__C(CCH)4 { specie { - nMoles 1; molWeight 112.132; } thermodynamics @@ -12972,7 +12163,6 @@ C2H5O-__Ethoxy_a { specie { - nMoles 1; molWeight 45.0621; } thermodynamics @@ -12988,7 +12178,6 @@ C12H4Cl5O2_2p,4, { specie { - nMoles 1; molWeight 357.429; } thermodynamics @@ -13004,7 +12193,6 @@ BiCl3 { specie { - nMoles 1; molWeight 315.339; } thermodynamics @@ -13020,7 +12208,6 @@ C3H2(1)CyPropen { specie { - nMoles 1; molWeight 38.0494; } thermodynamics @@ -13036,7 +12223,6 @@ BBr2 { specie { - nMoles 1; molWeight 170.613; } thermodynamics @@ -13052,7 +12238,6 @@ C6H8__1,4-Cycloh { specie { - nMoles 1; molWeight 80.1307; } thermodynamics @@ -13068,7 +12253,6 @@ H2O(cr) { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -13084,7 +12268,6 @@ Fe+ { specie { - nMoles 1; molWeight 55.8465; } thermodynamics @@ -13100,7 +12283,6 @@ C4H5_1-Butayn-3yl { specie { - nMoles 1; molWeight 53.0845; } thermodynamics @@ -13116,7 +12298,6 @@ s-(CH3)2N-NO2 { specie { - nMoles 1; molWeight 90.0823; } thermodynamics @@ -13132,7 +12313,6 @@ C5H11,t-pentyl { specie { - nMoles 1; molWeight 71.1434; } thermodynamics @@ -13148,7 +12328,6 @@ PCl2 { specie { - nMoles 1; molWeight 101.88; } thermodynamics @@ -13164,7 +12343,6 @@ C10H9_2-hydro_Rad { specie { - nMoles 1; molWeight 129.183; } thermodynamics @@ -13180,7 +12358,6 @@ PbI4 { specie { - nMoles 1; molWeight 714.808; } thermodynamics @@ -13196,7 +12373,6 @@ C7H16(L)_n-Heptan { specie { - nMoles 1; molWeight 100.206; } thermodynamics @@ -13212,7 +12388,6 @@ CrN { specie { - nMoles 1; molWeight 66.0027; } thermodynamics @@ -13228,7 +12403,6 @@ C3H5OH__Propenol { specie { - nMoles 1; molWeight 58.0807; } thermodynamics @@ -13244,7 +12418,6 @@ C3H3-_CH2=C=CH*- { specie { - nMoles 1; molWeight 39.0579; } thermodynamics @@ -13260,7 +12433,6 @@ C2HBr5 { specie { - nMoles 1; molWeight 424.535; } thermodynamics @@ -13276,7 +12448,6 @@ C6H14_2,2-DMButan { specie { - nMoles 1; molWeight 86.1785; } thermodynamics @@ -13292,7 +12463,6 @@ s-1-C10H7CHO { specie { - nMoles 1; molWeight 156.186; } thermodynamics @@ -13308,7 +12478,6 @@ S2- { specie { - nMoles 1; molWeight 64.1285; } thermodynamics @@ -13324,7 +12493,6 @@ C6H10_CyC5H7-CH3 { specie { - nMoles 1; molWeight 82.1466; } thermodynamics @@ -13340,7 +12508,6 @@ C3H3__Propargyl { specie { - nMoles 1; molWeight 39.0574; } thermodynamics @@ -13356,7 +12523,6 @@ C4H7__2-me-allyl { specie { - nMoles 1; molWeight 55.1004; } thermodynamics @@ -13372,7 +12538,6 @@ SiF2 { specie { - nMoles 1; molWeight 66.0828; } thermodynamics @@ -13388,7 +12553,6 @@ C5H3Cl3O_1-hydro { specie { - nMoles 1; molWeight 185.438; } thermodynamics @@ -13404,7 +12568,6 @@ s-(CH2I)2_DiIodoet { specie { - nMoles 1; molWeight 281.863; } thermodynamics @@ -13420,7 +12583,6 @@ C6H5O_phenyox_ra { specie { - nMoles 1; molWeight 93.1061; } thermodynamics @@ -13436,7 +12598,6 @@ C10H7I__1-Iodona { specie { - nMoles 1; molWeight 254.072; } thermodynamics @@ -13452,7 +12613,6 @@ C6H { specie { - nMoles 1; molWeight 73.0749; } thermodynamics @@ -13468,7 +12628,6 @@ C2Cl3_RAD { specie { - nMoles 1; molWeight 130.381; } thermodynamics @@ -13484,7 +12643,6 @@ C5F6___CycloPerF { specie { - nMoles 1; molWeight 174.046; } thermodynamics @@ -13500,7 +12658,6 @@ CH2Br-CH2Br { specie { - nMoles 1; molWeight 187.856; } thermodynamics @@ -13516,7 +12673,6 @@ AlH2 { specie { - nMoles 1; molWeight 28.9974; } thermodynamics @@ -13532,7 +12688,6 @@ HNNH-__cis____HF { specie { - nMoles 1; molWeight 30.0299; } thermodynamics @@ -13548,7 +12703,6 @@ HCO3-__gas { specie { - nMoles 1; molWeight 61.0179; } thermodynamics @@ -13564,7 +12718,6 @@ CF3I_TrifluoroIo { specie { - nMoles 1; molWeight 195.911; } thermodynamics @@ -13580,7 +12733,6 @@ CH2N2_H2C=N=N { specie { - nMoles 1; molWeight 42.0405; } thermodynamics @@ -13596,7 +12748,6 @@ Cu2 { specie { - nMoles 1; molWeight 127.08; } thermodynamics @@ -13612,7 +12763,6 @@ C6H8_CY_C5H5-1-CH3 { specie { - nMoles 1; molWeight 80.1307; } thermodynamics @@ -13628,7 +12778,6 @@ C4H5O2_2MeAcrylat { specie { - nMoles 1; molWeight 85.0833; } thermodynamics @@ -13644,7 +12793,6 @@ C5H12O_MTBE { specie { - nMoles 1; molWeight 88.1508; } thermodynamics @@ -13660,7 +12808,6 @@ Ca(a) { specie { - nMoles 1; molWeight 40.08; } thermodynamics @@ -13676,7 +12823,6 @@ Bi2___GAS { specie { - nMoles 1; molWeight 417.96; } thermodynamics @@ -13692,7 +12838,6 @@ CFBr3 { specie { - nMoles 1; molWeight 270.712; } thermodynamics @@ -13708,7 +12853,6 @@ C5H7_Cy-1en-4-yl { specie { - nMoles 1; molWeight 67.1115; } thermodynamics @@ -13724,7 +12868,6 @@ C2H5O2_HOCH2CH2O { specie { - nMoles 1; molWeight 61.061; } thermodynamics @@ -13740,7 +12883,6 @@ ZrF________GAS { specie { - nMoles 1; molWeight 110.218; } thermodynamics @@ -13756,7 +12898,6 @@ PbF3 { specie { - nMoles 1; molWeight 264.185; } thermodynamics @@ -13772,7 +12913,6 @@ C2H3__Vinyl_Radi { specie { - nMoles 1; molWeight 27.0462; } thermodynamics @@ -13788,7 +12928,6 @@ C3H8 { specie { - nMoles 1; molWeight 44.0972; } thermodynamics @@ -13804,7 +12943,6 @@ C3H5NO2_NitroCy { specie { - nMoles 1; molWeight 87.0788; } thermodynamics @@ -13820,7 +12958,6 @@ C6H13__2M-5yl { specie { - nMoles 1; molWeight 85.1705; } thermodynamics @@ -13836,7 +12973,6 @@ Po_Polonium_(cr) { specie { - nMoles 1; molWeight 210; } thermodynamics @@ -13852,7 +12988,6 @@ NITROGLICERINE { specie { - nMoles 1; molWeight 227.088; } thermodynamics @@ -13868,7 +13003,6 @@ BiF3 { specie { - nMoles 1; molWeight 265.975; } thermodynamics @@ -13884,7 +13018,6 @@ C4H9_s-butyl { specie { - nMoles 1; molWeight 57.1163; } thermodynamics @@ -13900,7 +13033,6 @@ C2F3 { specie { - nMoles 1; molWeight 81.0175; } thermodynamics @@ -13916,7 +13048,6 @@ C3HCl2*__Radical { specie { - nMoles 1; molWeight 107.947; } thermodynamics @@ -13932,7 +13063,6 @@ Pd(g)__Paladium { specie { - nMoles 1; molWeight 106.4; } thermodynamics @@ -13948,7 +13078,6 @@ C2H5F { specie { - nMoles 1; molWeight 48.0606; } thermodynamics @@ -13964,7 +13093,6 @@ C9H7N_QUINOLINE { specie { - nMoles 1; molWeight 129.163; } thermodynamics @@ -13980,7 +13108,6 @@ C6H6_Fulvene { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -13996,7 +13123,6 @@ Fe(a) { specie { - nMoles 1; molWeight 55.847; } thermodynamics @@ -14012,7 +13138,6 @@ Fe- { specie { - nMoles 1; molWeight 55.8475; } thermodynamics @@ -14028,7 +13153,6 @@ C2(NO2)4_NO_HF { specie { - nMoles 1; molWeight 208.044; } thermodynamics @@ -14044,7 +13168,6 @@ FSSF_Difluorodis { specie { - nMoles 1; molWeight 102.125; } thermodynamics @@ -14060,7 +13183,6 @@ PbO { specie { - nMoles 1; molWeight 223.189; } thermodynamics @@ -14076,7 +13198,6 @@ CH3CH__singlet { specie { - nMoles 1; molWeight 28.0542; } thermodynamics @@ -14092,7 +13213,6 @@ C5H4_1,2_diene4yne { specie { - nMoles 1; molWeight 64.0876; } thermodynamics @@ -14108,7 +13228,6 @@ C7H15__NEOPENTYL-2 { specie { - nMoles 1; molWeight 99.1976; } thermodynamics @@ -14124,7 +13243,6 @@ MgSO4(II) { specie { - nMoles 1; molWeight 120.374; } thermodynamics @@ -14140,7 +13258,6 @@ Ni+ { specie { - nMoles 1; molWeight 58.7095; } thermodynamics @@ -14156,7 +13273,6 @@ N2O_cyclo_O(NN) { specie { - nMoles 1; molWeight 44.0128; } thermodynamics @@ -14172,7 +13288,6 @@ C2H3O_Oxyrane_Rad { specie { - nMoles 1; molWeight 43.0456; } thermodynamics @@ -14188,7 +13303,6 @@ S2Cl { specie { - nMoles 1; molWeight 99.581; } thermodynamics @@ -14204,7 +13318,6 @@ SnH4 { specie { - nMoles 1; molWeight 122.722; } thermodynamics @@ -14220,7 +13333,6 @@ NOH+_cation { specie { - nMoles 1; molWeight 31.0135; } thermodynamics @@ -14236,7 +13348,6 @@ C3H2Cl2__1,2_Dic { specie { - nMoles 1; molWeight 108.955; } thermodynamics @@ -14252,7 +13363,6 @@ O_singlet_(excite) { specie { - nMoles 1; molWeight 15.9994; } thermodynamics @@ -14268,7 +13378,6 @@ C3H4O__Acrolein { specie { - nMoles 1; molWeight 56.0647; } thermodynamics @@ -14284,7 +13393,6 @@ C6H13_n-hexyl { specie { - nMoles 1; molWeight 85.1705; } thermodynamics @@ -14300,7 +13408,6 @@ C2Cl3F3_FC-113 { specie { - nMoles 1; molWeight 187.377; } thermodynamics @@ -14316,7 +13423,6 @@ HI { specie { - nMoles 1; molWeight 127.912; } thermodynamics @@ -14332,7 +13438,6 @@ C2HF2__CHF=CF(E) { specie { - nMoles 1; molWeight 63.0271; } thermodynamics @@ -14348,7 +13453,6 @@ Al2O3(a) { specie { - nMoles 1; molWeight 101.961; } thermodynamics @@ -14364,7 +13468,6 @@ CD { specie { - nMoles 1; molWeight 14.0252; } thermodynamics @@ -14380,7 +13483,6 @@ N2O+_O(NN)+_cycl { specie { - nMoles 1; molWeight 44.0123; } thermodynamics @@ -14396,7 +13498,6 @@ C4H6S_2,5-dihydro { specie { - nMoles 1; molWeight 86.1564; } thermodynamics @@ -14412,7 +13513,6 @@ Pt { specie { - nMoles 1; molWeight 195.09; } thermodynamics @@ -14428,7 +13528,6 @@ C3H6O2_Hydroaceto { specie { - nMoles 1; molWeight 74.0801; } thermodynamics @@ -14444,7 +13543,6 @@ C2H4O2+_CH3COOH+ { specie { - nMoles 1; molWeight 60.0524; } thermodynamics @@ -14460,7 +13558,6 @@ C12H8S_DiBenzoTh { specie { - nMoles 1; molWeight 184.262; } thermodynamics @@ -14476,7 +13573,6 @@ W(L) { specie { - nMoles 1; molWeight 183.85; } thermodynamics @@ -14492,7 +13588,6 @@ BH2 { specie { - nMoles 1; molWeight 12.8269; } thermodynamics @@ -14508,7 +13603,6 @@ H3PO4(cr) { specie { - nMoles 1; molWeight 97.9953; } thermodynamics @@ -14524,7 +13618,6 @@ Mg2TiO4(L) { specie { - nMoles 1; molWeight 160.522; } thermodynamics @@ -14540,7 +13633,6 @@ Br2(L) { specie { - nMoles 1; molWeight 159.802; } thermodynamics @@ -14556,7 +13648,6 @@ C13H9N_PHENANTHRI { specie { - nMoles 1; molWeight 179.223; } thermodynamics @@ -14572,7 +13663,6 @@ NiS(L) { specie { - nMoles 1; molWeight 90.774; } thermodynamics @@ -14588,7 +13678,6 @@ CH2-_anion { specie { - nMoles 1; molWeight 14.0276; } thermodynamics @@ -14604,7 +13693,6 @@ C5H2_*HC=C=C=C=C { specie { - nMoles 1; molWeight 62.0717; } thermodynamics @@ -14620,7 +13708,6 @@ S-OH { specie { - nMoles 1; molWeight 49.0714; } thermodynamics @@ -14636,7 +13723,6 @@ C5H9O2_MeButyratC3 { specie { - nMoles 1; molWeight 101.126; } thermodynamics @@ -14652,7 +13738,6 @@ C16H9_1-Pyrenyl { specie { - nMoles 1; molWeight 201.25; } thermodynamics @@ -14668,7 +13753,6 @@ C7H10N2O2_BiCyclo { specie { - nMoles 1; molWeight 154.17; } thermodynamics @@ -14684,7 +13768,6 @@ NO3+ { specie { - nMoles 1; molWeight 62.0044; } thermodynamics @@ -14700,7 +13783,6 @@ HFCO { specie { - nMoles 1; molWeight 48.0169; } thermodynamics @@ -14716,7 +13798,6 @@ CrO2Cl2 { specie { - nMoles 1; molWeight 154.901; } thermodynamics @@ -14732,7 +13813,6 @@ FeS(b) { specie { - nMoles 1; molWeight 87.911; } thermodynamics @@ -14748,7 +13828,6 @@ C5H5+_1yne3ene5yl { specie { - nMoles 1; molWeight 65.0951; } thermodynamics @@ -14764,7 +13843,6 @@ Fe { specie { - nMoles 1; molWeight 55.847; } thermodynamics @@ -14780,7 +13858,6 @@ C2Br { specie { - nMoles 1; molWeight 103.923; } thermodynamics @@ -14796,7 +13873,6 @@ HNCO+ { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -14812,7 +13888,6 @@ C6H11__1en-2M4yl { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -14828,7 +13903,6 @@ C3H4N4O6_1,3,3- { specie { - nMoles 1; molWeight 192.089; } thermodynamics @@ -14844,7 +13918,6 @@ CH3SH_methyl_mer { specie { - nMoles 1; molWeight 48.107; } thermodynamics @@ -14860,7 +13933,6 @@ C7H8__Toluene { specie { - nMoles 1; molWeight 92.1418; } thermodynamics @@ -14876,7 +13948,6 @@ C6H2Cl3O3_Sym_BiCy { specie { - nMoles 1; molWeight 228.44; } thermodynamics @@ -14892,7 +13963,6 @@ s-1,5-C6H4__trans { specie { - nMoles 1; molWeight 76.0988; } thermodynamics @@ -14908,7 +13978,6 @@ CHBr { specie { - nMoles 1; molWeight 92.92; } thermodynamics @@ -14924,7 +13993,6 @@ C6H6_1,2,4,5 { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -14940,7 +14008,6 @@ CH2CO__ketene { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -14956,7 +14023,6 @@ C3H4__cyPropene { specie { - nMoles 1; molWeight 40.0653; } thermodynamics @@ -14972,7 +14038,6 @@ KNO3(G) { specie { - nMoles 1; molWeight 101.107; } thermodynamics @@ -14988,7 +14053,6 @@ C8H7N__Indole { specie { - nMoles 1; molWeight 117.152; } thermodynamics @@ -15004,7 +14068,6 @@ C(cr)_Diamond { specie { - nMoles 1; molWeight 12.0112; } thermodynamics @@ -15020,7 +14083,6 @@ C7F16 { specie { - nMoles 1; molWeight 388.052; } thermodynamics @@ -15036,7 +14098,6 @@ PO3 { specie { - nMoles 1; molWeight 78.972; } thermodynamics @@ -15052,7 +14113,6 @@ PF4Cl { specie { - nMoles 1; molWeight 142.42; } thermodynamics @@ -15068,7 +14128,6 @@ C5H6O_3-Me_Furan { specie { - nMoles 1; molWeight 82.103; } thermodynamics @@ -15084,7 +14143,6 @@ H2O2 { specie { - nMoles 1; molWeight 34.0147; } thermodynamics @@ -15100,7 +14158,6 @@ C13H10__Phenalene { specie { - nMoles 1; molWeight 166.225; } thermodynamics @@ -15116,7 +14173,6 @@ W(cr) { specie { - nMoles 1; molWeight 183.85; } thermodynamics @@ -15132,7 +14188,6 @@ CS2 { specie { - nMoles 1; molWeight 76.1392; } thermodynamics @@ -15148,7 +14203,6 @@ H2- { specie { - nMoles 1; molWeight 2.01648; } thermodynamics @@ -15164,7 +14218,6 @@ C3H3F2_*CF2CH=CH2 { specie { - nMoles 1; molWeight 77.0542; } thermodynamics @@ -15180,7 +14233,6 @@ N2H3+__Hydrazine { specie { - nMoles 1; molWeight 31.0368; } thermodynamics @@ -15196,7 +14248,6 @@ PH { specie { - nMoles 1; molWeight 31.9818; } thermodynamics @@ -15212,7 +14263,6 @@ C10H19__1-deceny { specie { - nMoles 1; molWeight 139.263; } thermodynamics @@ -15228,7 +14278,6 @@ NF { specie { - nMoles 1; molWeight 33.0051; } thermodynamics @@ -15244,7 +14293,6 @@ C3H6O_Acetone { specie { - nMoles 1; molWeight 58.0807; } thermodynamics @@ -15260,7 +14308,6 @@ MoO2 { specie { - nMoles 1; molWeight 127.939; } thermodynamics @@ -15276,7 +14323,6 @@ C32H13_OVALENYL { specie { - nMoles 1; molWeight 397.46; } thermodynamics @@ -15292,7 +14338,6 @@ C2Cl2 { specie { - nMoles 1; molWeight 94.9283; } thermodynamics @@ -15308,7 +14353,6 @@ C6H14_2,3-DiMeth { specie { - nMoles 1; molWeight 86.1785; } thermodynamics @@ -15324,7 +14368,6 @@ HO2 { specie { - nMoles 1; molWeight 33.0068; } thermodynamics @@ -15340,7 +14383,6 @@ C5H6N2O2_Thymine { specie { - nMoles 1; molWeight 126.116; } thermodynamics @@ -15356,7 +14398,6 @@ C7H10_25C5H4(CH3)2 { specie { - nMoles 1; molWeight 94.1578; } thermodynamics @@ -15372,7 +14413,6 @@ Zr(b) { specie { - nMoles 1; molWeight 91.22; } thermodynamics @@ -15388,7 +14428,6 @@ SiF4 { specie { - nMoles 1; molWeight 104.08; } thermodynamics @@ -15404,7 +14443,6 @@ Br2_Dibromine { specie { - nMoles 1; molWeight 159.802; } thermodynamics @@ -15420,7 +14458,6 @@ COF2 { specie { - nMoles 1; molWeight 66.0074; } thermodynamics @@ -15436,7 +14473,6 @@ Fe(OH)2 { specie { - nMoles 1; molWeight 89.8617; } thermodynamics @@ -15452,7 +14488,6 @@ C4H4_CYbutadiene { specie { - nMoles 1; molWeight 52.0765; } thermodynamics @@ -15468,7 +14503,6 @@ C6T6_Benzene_T-6 { specie { - nMoles 1; molWeight 84.1515; } thermodynamics @@ -15484,7 +14518,6 @@ C25H52__Pentacosa { specie { - nMoles 1; molWeight 352.693; } thermodynamics @@ -15500,7 +14533,6 @@ C3_singlet { specie { - nMoles 1; molWeight 36.0335; } thermodynamics @@ -15516,7 +14548,6 @@ SF2- { specie { - nMoles 1; molWeight 70.0613; } thermodynamics @@ -15532,7 +14563,6 @@ C5H4_1,3-diyne { specie { - nMoles 1; molWeight 64.0876; } thermodynamics @@ -15548,7 +14578,6 @@ HNC { specie { - nMoles 1; molWeight 27.0258; } thermodynamics @@ -15564,7 +14593,6 @@ ClO3___Chlorate { specie { - nMoles 1; molWeight 83.4512; } thermodynamics @@ -15580,7 +14608,6 @@ Al(cr) { specie { - nMoles 1; molWeight 26.9815; } thermodynamics @@ -15596,7 +14623,6 @@ HNC+ { specie { - nMoles 1; molWeight 27.0253; } thermodynamics @@ -15612,7 +14638,6 @@ Xe+ { specie { - nMoles 1; molWeight 131.299; } thermodynamics @@ -15628,7 +14653,6 @@ C6H7__1,4-CyDiEne { specie { - nMoles 1; molWeight 79.1227; } thermodynamics @@ -15644,7 +14668,6 @@ Mo(cr) { specie { - nMoles 1; molWeight 95.94; } thermodynamics @@ -15660,7 +14683,6 @@ Al2O2+ { specie { - nMoles 1; molWeight 85.9613; } thermodynamics @@ -15676,7 +14698,6 @@ NH3+_cation { specie { - nMoles 1; molWeight 17.0301; } thermodynamics @@ -15692,7 +14713,6 @@ NH2F { specie { - nMoles 1; molWeight 35.021; } thermodynamics @@ -15708,7 +14728,6 @@ C2H4Cl_betaClEthyl { specie { - nMoles 1; molWeight 63.5072; } thermodynamics @@ -15724,7 +14743,6 @@ C5H8__Isoprene { specie { - nMoles 1; molWeight 68.1195; } thermodynamics @@ -15740,7 +14758,6 @@ Bi(L) { specie { - nMoles 1; molWeight 208.98; } thermodynamics @@ -15756,7 +14773,6 @@ C12H4Cl4O_2367 { specie { - nMoles 1; molWeight 305.977; } thermodynamics @@ -15772,7 +14788,6 @@ CO+ { specie { - nMoles 1; molWeight 28.01; } thermodynamics @@ -15788,7 +14803,6 @@ CH2Cl2 { specie { - nMoles 1; molWeight 84.9331; } thermodynamics @@ -15804,7 +14818,6 @@ C4H6,cyclo- { specie { - nMoles 1; molWeight 54.0924; } thermodynamics @@ -15820,7 +14833,6 @@ MgTi2O5(S) { specie { - nMoles 1; molWeight 200.109; } thermodynamics @@ -15836,7 +14848,6 @@ C6H5Br_Bromobenz { specie { - nMoles 1; molWeight 157.008; } thermodynamics @@ -15852,7 +14863,6 @@ C7H7O___C6H5CH2O { specie { - nMoles 1; molWeight 107.133; } thermodynamics @@ -15868,7 +14878,6 @@ C2H5Br { specie { - nMoles 1; molWeight 108.963; } thermodynamics @@ -15884,7 +14893,6 @@ C12H8O2 { specie { - nMoles 1; molWeight 184.196; } thermodynamics @@ -15900,7 +14908,6 @@ CBrF3_FREON_1301 { specie { - nMoles 1; molWeight 148.907; } thermodynamics @@ -15916,7 +14923,6 @@ PbS2 { specie { - nMoles 1; molWeight 271.318; } thermodynamics @@ -15932,7 +14938,6 @@ Zn { specie { - nMoles 1; molWeight 65.37; } thermodynamics @@ -15948,7 +14953,6 @@ C19H32O2_meLinolen { specie { - nMoles 1; molWeight 292.466; } thermodynamics @@ -15964,7 +14968,6 @@ C18H34_1-Octadecy { specie { - nMoles 1; molWeight 250.472; } thermodynamics @@ -15980,7 +14983,6 @@ C2HCl { specie { - nMoles 1; molWeight 60.4833; } thermodynamics @@ -15996,7 +14998,6 @@ C5H5O__1-oxy-1,3- { specie { - nMoles 1; molWeight 81.095; } thermodynamics @@ -16012,7 +15013,6 @@ CH3NO_Nitrosomethy { specie { - nMoles 1; molWeight 45.0412; } thermodynamics @@ -16028,7 +15028,6 @@ MgOH { specie { - nMoles 1; molWeight 41.3194; } thermodynamics @@ -16044,7 +15043,6 @@ C12H24_CyDoDecane { specie { - nMoles 1; molWeight 168.325; } thermodynamics @@ -16060,7 +15058,6 @@ Na(g) { specie { - nMoles 1; molWeight 22.9898; } thermodynamics @@ -16076,7 +15073,6 @@ H4F4 { specie { - nMoles 1; molWeight 80.0255; } thermodynamics @@ -16092,7 +15088,6 @@ HO2- { specie { - nMoles 1; molWeight 33.0073; } thermodynamics @@ -16108,7 +15103,6 @@ C10H6_Naphtyne { specie { - nMoles 1; molWeight 126.159; } thermodynamics @@ -16124,7 +15118,6 @@ Ge2 { specie { - nMoles 1; molWeight 145.18; } thermodynamics @@ -16140,7 +15133,6 @@ C2H4O2Cl2 { specie { - nMoles 1; molWeight 130.959; } thermodynamics @@ -16156,7 +15148,6 @@ MgF2(L) { specie { - nMoles 1; molWeight 62.3088; } thermodynamics @@ -16172,7 +15163,6 @@ CH3 { specie { - nMoles 1; molWeight 15.0351; } thermodynamics @@ -16188,7 +15178,6 @@ C12H8Cl2O2_6,6-( { specie { - nMoles 1; molWeight 255.102; } thermodynamics @@ -16204,7 +15193,6 @@ Al(OH)2 { specie { - nMoles 1; molWeight 60.9962; } thermodynamics @@ -16220,7 +15208,6 @@ CF2H-CClF2_FC-124A { specie { - nMoles 1; molWeight 136.477; } thermodynamics @@ -16236,7 +15223,6 @@ C5H2Cl2O_3,4-Cyc { specie { - nMoles 1; molWeight 148.977; } thermodynamics @@ -16252,7 +15238,6 @@ Mg(cr) { specie { - nMoles 1; molWeight 24.312; } thermodynamics @@ -16268,7 +15253,6 @@ P4O6 { specie { - nMoles 1; molWeight 219.892; } thermodynamics @@ -16284,7 +15268,6 @@ C4H7O_2-Butanone { specie { - nMoles 1; molWeight 71.0998; } thermodynamics @@ -16300,7 +15283,6 @@ C4H7N___PropylCN { specie { - nMoles 1; molWeight 69.1071; } thermodynamics @@ -16316,7 +15298,6 @@ MnS___Liquid { specie { - nMoles 1; molWeight 87.002; } thermodynamics @@ -16332,7 +15313,6 @@ C2H2F2__FC-1132A { specie { - nMoles 1; molWeight 64.035; } thermodynamics @@ -16348,7 +15328,6 @@ C5H11N_Piperidine { specie { - nMoles 1; molWeight 85.1501; } thermodynamics @@ -16364,7 +15343,6 @@ C13H9N__ACRIDINE { specie { - nMoles 1; molWeight 179.223; } thermodynamics @@ -16380,7 +15358,6 @@ C4H7__trans-1-Bu { specie { - nMoles 1; molWeight 55.1004; } thermodynamics @@ -16396,7 +15373,6 @@ C4H { specie { - nMoles 1; molWeight 49.0526; } thermodynamics @@ -16412,7 +15388,6 @@ Cl2O { specie { - nMoles 1; molWeight 86.9054; } thermodynamics @@ -16428,7 +15403,6 @@ CH3CBr3_111 { specie { - nMoles 1; molWeight 266.749; } thermodynamics @@ -16444,7 +15418,6 @@ n-C4H10O2_n-perox { specie { - nMoles 1; molWeight 90.1231; } thermodynamics @@ -16460,7 +15433,6 @@ O3- { specie { - nMoles 1; molWeight 47.9987; } thermodynamics @@ -16476,7 +15448,6 @@ C5H7_Cy-1en-3-yl { specie { - nMoles 1; molWeight 67.1115; } thermodynamics @@ -16492,7 +15463,6 @@ C7H10_cyC5H9-CCH { specie { - nMoles 1; molWeight 94.1578; } thermodynamics @@ -16508,7 +15478,6 @@ ClO2___OClO___HF { specie { - nMoles 1; molWeight 67.4518; } thermodynamics @@ -16524,7 +15493,6 @@ NCCH2OOH { specie { - nMoles 1; molWeight 73.0517; } thermodynamics @@ -16540,7 +15508,6 @@ HCNO_Fulminic_Acid { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -16556,7 +15523,6 @@ C8_linear_singlet { specie { - nMoles 1; molWeight 96.0892; } thermodynamics @@ -16572,7 +15538,6 @@ NH2OH+ { specie { - nMoles 1; molWeight 33.0295; } thermodynamics @@ -16588,7 +15553,6 @@ MgCl { specie { - nMoles 1; molWeight 59.765; } thermodynamics @@ -16604,7 +15568,6 @@ BO { specie { - nMoles 1; molWeight 26.8104; } thermodynamics @@ -16620,7 +15583,6 @@ CH2O__CH**-OH { specie { - nMoles 1; molWeight 30.0265; } thermodynamics @@ -16636,7 +15598,6 @@ Sn- { specie { - nMoles 1; molWeight 118.691; } thermodynamics @@ -16652,7 +15613,6 @@ C5Cl6___CycloPer { specie { - nMoles 1; molWeight 272.774; } thermodynamics @@ -16668,7 +15628,6 @@ C2+ { specie { - nMoles 1; molWeight 24.0218; } thermodynamics @@ -16684,7 +15643,6 @@ MgSiO3(L) { specie { - nMoles 1; molWeight 100.396; } thermodynamics @@ -16700,7 +15658,6 @@ C3H7OO_PropylPer { specie { - nMoles 1; molWeight 75.088; } thermodynamics @@ -16716,7 +15673,6 @@ C6H5-_phenyl_ani { specie { - nMoles 1; molWeight 77.1073; } thermodynamics @@ -16732,7 +15688,6 @@ CH3N2__C*H2-N=NH { specie { - nMoles 1; molWeight 43.0485; } thermodynamics @@ -16748,7 +15703,6 @@ SiO2(L) { specie { - nMoles 1; molWeight 60.0848; } thermodynamics @@ -16764,7 +15718,6 @@ SF5 { specie { - nMoles 1; molWeight 127.056; } thermodynamics @@ -16780,7 +15733,6 @@ NH3_Anharmonic { specie { - nMoles 1; molWeight 17.0306; } thermodynamics @@ -16796,7 +15748,6 @@ C6H12O2_Butyric { specie { - nMoles 1; molWeight 116.161; } thermodynamics @@ -16812,7 +15763,6 @@ PH+ { specie { - nMoles 1; molWeight 31.9818; } thermodynamics @@ -16828,7 +15778,6 @@ C2HCl4_CHCl2-CCl2 { specie { - nMoles 1; molWeight 166.842; } thermodynamics @@ -16844,7 +15793,6 @@ C5H5O_Cyclo-2,4- { specie { - nMoles 1; molWeight 81.095; } thermodynamics @@ -16860,7 +15808,6 @@ BF { specie { - nMoles 1; molWeight 29.8094; } thermodynamics @@ -16876,7 +15823,6 @@ C15H30O2_n-acid { specie { - nMoles 1; molWeight 242.405; } thermodynamics @@ -16892,7 +15838,6 @@ C7H13_1-Heptyl-4en { specie { - nMoles 1; molWeight 97.1817; } thermodynamics @@ -16908,7 +15853,6 @@ C22H44O2_Ethyl_E { specie { - nMoles 1; molWeight 340.595; } thermodynamics @@ -16924,7 +15868,6 @@ NOH- { specie { - nMoles 1; molWeight 31.0146; } thermodynamics @@ -16940,7 +15883,6 @@ BiCl { specie { - nMoles 1; molWeight 244.433; } thermodynamics @@ -16956,7 +15898,6 @@ N2O3+ { specie { - nMoles 1; molWeight 76.0111; } thermodynamics @@ -16972,7 +15913,6 @@ Ge(L) { specie { - nMoles 1; molWeight 72.59; } thermodynamics @@ -16988,7 +15928,6 @@ C4H10FO2P_SARIN { specie { - nMoles 1; molWeight 159.094; } thermodynamics @@ -17004,7 +15943,6 @@ s-1-C10H7CH=CH2 { specie { - nMoles 1; molWeight 154.214; } thermodynamics @@ -17020,7 +15958,6 @@ BF2- { specie { - nMoles 1; molWeight 48.8083; } thermodynamics @@ -17036,7 +15973,6 @@ C4H9O_s-butoxy_r { specie { - nMoles 1; molWeight 73.1157; } thermodynamics @@ -17052,7 +15988,6 @@ C2DH_Acetylene-D { specie { - nMoles 1; molWeight 27.0444; } thermodynamics @@ -17068,7 +16003,6 @@ HgBr2(L) { specie { - nMoles 1; molWeight 360.392; } thermodynamics @@ -17084,7 +16018,6 @@ Cr2O3(Ip) { specie { - nMoles 1; molWeight 151.99; } thermodynamics @@ -17100,7 +16033,6 @@ C2D6_Ethane-D6 { specie { - nMoles 1; molWeight 36.1069; } thermodynamics @@ -17116,7 +16048,6 @@ CH3O-_anion { specie { - nMoles 1; molWeight 31.035; } thermodynamics @@ -17132,7 +16063,6 @@ MgS { specie { - nMoles 1; molWeight 56.376; } thermodynamics @@ -17148,7 +16078,6 @@ MoO2__Solid { specie { - nMoles 1; molWeight 127.939; } thermodynamics @@ -17164,7 +16093,6 @@ N-C9H19_________N- { specie { - nMoles 1; molWeight 127.252; } thermodynamics @@ -17180,7 +16108,6 @@ C10H9_1-methyl { specie { - nMoles 1; molWeight 129.183; } thermodynamics @@ -17196,7 +16123,6 @@ C23H47_1-Tricosane { specie { - nMoles 1; molWeight 323.631; } thermodynamics @@ -17212,7 +16138,6 @@ C4H6_1-butyne { specie { - nMoles 1; molWeight 54.0924; } thermodynamics @@ -17228,7 +16153,6 @@ F- { specie { - nMoles 1; molWeight 18.9989; } thermodynamics @@ -17244,7 +16168,6 @@ BF2 { specie { - nMoles 1; molWeight 48.8078; } thermodynamics @@ -17260,7 +16183,6 @@ NH4Cl(II) { specie { - nMoles 1; molWeight 53.4916; } thermodynamics @@ -17276,7 +16198,6 @@ C5H3N_CyanoVinyl { specie { - nMoles 1; molWeight 77.0864; } thermodynamics @@ -17292,7 +16213,6 @@ C7H5NO_Benzoxazole { specie { - nMoles 1; molWeight 119.124; } thermodynamics @@ -17308,7 +16228,6 @@ Cu3Cl3 { specie { - nMoles 1; molWeight 296.979; } thermodynamics @@ -17324,7 +16243,6 @@ C7H7_QuadriShould { specie { - nMoles 1; molWeight 91.1338; } thermodynamics @@ -17340,7 +16258,6 @@ CH3CH-__anion { specie { - nMoles 1; molWeight 28.0547; } thermodynamics @@ -17356,7 +16273,6 @@ Fe(OH)2(S) { specie { - nMoles 1; molWeight 89.8617; } thermodynamics @@ -17372,7 +16288,6 @@ HOCN_Cyanic_Acid { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -17388,7 +16303,6 @@ C5H10O_T.H.PYRAN { specie { - nMoles 1; molWeight 86.1349; } thermodynamics @@ -17404,7 +16318,6 @@ GeH4 { specie { - nMoles 1; molWeight 76.6219; } thermodynamics @@ -17420,7 +16333,6 @@ NH3__RRHO { specie { - nMoles 1; molWeight 17.0306; } thermodynamics @@ -17436,7 +16348,6 @@ CH4N2O_Urea { specie { - nMoles 1; molWeight 60.0558; } thermodynamics @@ -17452,7 +16363,6 @@ C2H- { specie { - nMoles 1; molWeight 25.0308; } thermodynamics @@ -17468,7 +16378,6 @@ Zr- { specie { - nMoles 1; molWeight 91.2205; } thermodynamics @@ -17484,7 +16393,6 @@ N-UNDECANE { specie { - nMoles 1; molWeight 156.314; } thermodynamics @@ -17500,7 +16408,6 @@ O3+ { specie { - nMoles 1; molWeight 47.9977; } thermodynamics @@ -17516,7 +16423,6 @@ CH3NC_Methyl-Iso { specie { - nMoles 1; molWeight 41.0529; } thermodynamics @@ -17532,7 +16438,6 @@ C4H4N2_PYRAZINE { specie { - nMoles 1; molWeight 80.0899; } thermodynamics @@ -17548,7 +16453,6 @@ PO2- { specie { - nMoles 1; molWeight 62.9731; } thermodynamics @@ -17564,7 +16468,6 @@ C2H6S__(C2H5SH) { specie { - nMoles 1; molWeight 62.1341; } thermodynamics @@ -17580,7 +16483,6 @@ C7H16O_n-heptanol { specie { - nMoles 1; molWeight 116.205; } thermodynamics @@ -17596,7 +16498,6 @@ C7H10_23C5H4(CH3)2 { specie { - nMoles 1; molWeight 94.1578; } thermodynamics @@ -17612,7 +16513,6 @@ NCCH2OO_Radical { specie { - nMoles 1; molWeight 72.0437; } thermodynamics @@ -17628,7 +16528,6 @@ HO3____HOOO { specie { - nMoles 1; molWeight 49.0062; } thermodynamics @@ -17644,7 +16543,6 @@ Fe(c) { specie { - nMoles 1; molWeight 55.847; } thermodynamics @@ -17660,7 +16558,6 @@ C2H5O2_HOCH2C*HO { specie { - nMoles 1; molWeight 61.061; } thermodynamics @@ -17676,7 +16573,6 @@ CH5N__CH3NH2 { specie { - nMoles 1; molWeight 31.0577; } thermodynamics @@ -17692,7 +16588,6 @@ C7H8O__C6H5CH2OH { specie { - nMoles 1; molWeight 108.141; } thermodynamics @@ -17708,7 +16603,6 @@ C4H5O__EtKetene-2 { specie { - nMoles 1; molWeight 69.0838; } thermodynamics @@ -17724,7 +16618,6 @@ CH3ONO2 { specie { - nMoles 1; molWeight 77.04; } thermodynamics @@ -17740,7 +16633,6 @@ C2H2(NO2)2 { specie { - nMoles 1; molWeight 118.049; } thermodynamics @@ -17756,7 +16648,6 @@ s-1,2,3-C6H4-5-yne { specie { - nMoles 1; molWeight 76.0988; } thermodynamics @@ -17772,7 +16663,6 @@ Cr(cr) { specie { - nMoles 1; molWeight 51.996; } thermodynamics @@ -17788,7 +16678,6 @@ C8H6__Benzocybuten { specie { - nMoles 1; molWeight 102.137; } thermodynamics @@ -17804,7 +16693,6 @@ C3H_Radical_HCCC { specie { - nMoles 1; molWeight 37.0414; } thermodynamics @@ -17820,7 +16708,6 @@ MgBr { specie { - nMoles 1; molWeight 104.213; } thermodynamics @@ -17836,7 +16723,6 @@ C2- { specie { - nMoles 1; molWeight 24.0228; } thermodynamics @@ -17852,7 +16738,6 @@ N4_cyclo { specie { - nMoles 1; molWeight 56.0268; } thermodynamics @@ -17868,7 +16753,6 @@ SF3 { specie { - nMoles 1; molWeight 89.0592; } thermodynamics @@ -17884,7 +16768,6 @@ Kr { specie { - nMoles 1; molWeight 83.8; } thermodynamics @@ -17900,7 +16783,6 @@ Bi___GAS { specie { - nMoles 1; molWeight 208.98; } thermodynamics @@ -17916,7 +16798,6 @@ C3H3ON_Oxazole { specie { - nMoles 1; molWeight 69.0635; } thermodynamics @@ -17932,7 +16813,6 @@ C10H10_3-meIndene { specie { - nMoles 1; molWeight 130.191; } thermodynamics @@ -17948,7 +16828,6 @@ C2H5ClO2 { specie { - nMoles 1; molWeight 96.514; } thermodynamics @@ -17964,7 +16843,6 @@ BrNC_BrIsocyanogen { specie { - nMoles 1; molWeight 105.919; } thermodynamics @@ -17980,7 +16858,6 @@ C6F6 { specie { - nMoles 1; molWeight 186.057; } thermodynamics @@ -17996,7 +16873,6 @@ C2H5-_Ethyl_anio { specie { - nMoles 1; molWeight 29.0627; } thermodynamics @@ -18012,7 +16888,6 @@ C5H5OH_Cyclo-1,3 { specie { - nMoles 1; molWeight 82.103; } thermodynamics @@ -18028,7 +16903,6 @@ HSO { specie { - nMoles 1; molWeight 49.0714; } thermodynamics @@ -18044,7 +16918,6 @@ O- { specie { - nMoles 1; molWeight 15.9999; } thermodynamics @@ -18060,7 +16933,6 @@ Fe3C_(S)_Solid-A { specie { - nMoles 1; molWeight 179.552; } thermodynamics @@ -18076,7 +16948,6 @@ C4H8O2_MePropionat { specie { - nMoles 1; molWeight 88.1072; } thermodynamics @@ -18092,7 +16963,6 @@ HDO { specie { - nMoles 1; molWeight 19.0215; } thermodynamics @@ -18108,7 +16978,6 @@ MgO(cr) { specie { - nMoles 1; molWeight 40.3114; } thermodynamics @@ -18124,7 +16993,6 @@ C3H3Cl_CH2Cl-CCH { specie { - nMoles 1; molWeight 74.5104; } thermodynamics @@ -18140,7 +17008,6 @@ CD3OD_Methanol_d4 { specie { - nMoles 1; molWeight 36.0669; } thermodynamics @@ -18156,7 +17023,6 @@ C8H18(L)_n-octane { specie { - nMoles 1; molWeight 114.233; } thermodynamics @@ -18172,7 +17038,6 @@ CBr4 { specie { - nMoles 1; molWeight 331.615; } thermodynamics @@ -18188,7 +17053,6 @@ BaO(G) { specie { - nMoles 1; molWeight 153.339; } thermodynamics @@ -18204,7 +17068,6 @@ MgI2(s) { specie { - nMoles 1; molWeight 278.121; } thermodynamics @@ -18220,7 +17083,6 @@ C6HCl5_5-ClBenzen { specie { - nMoles 1; molWeight 250.34; } thermodynamics @@ -18236,7 +17098,6 @@ C4N2 { specie { - nMoles 1; molWeight 76.058; } thermodynamics @@ -18252,7 +17113,6 @@ CH2F2___FC-32 { specie { - nMoles 1; molWeight 52.0239; } thermodynamics @@ -18268,7 +17128,6 @@ HCC-OH__Ethynol { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -18284,7 +17143,6 @@ C5H5N_PYRIDINE_Cy { specie { - nMoles 1; molWeight 79.1023; } thermodynamics @@ -18300,7 +17158,6 @@ MgF2(cr)II { specie { - nMoles 1; molWeight 62.3088; } thermodynamics @@ -18316,7 +17173,6 @@ NITROPROPYLENE_C { specie { - nMoles 1; molWeight 87.0788; } thermodynamics @@ -18332,7 +17188,6 @@ BCl { specie { - nMoles 1; molWeight 46.264; } thermodynamics @@ -18348,7 +17203,6 @@ Po_Polonium_(L) { specie { - nMoles 1; molWeight 210; } thermodynamics @@ -18364,7 +17218,6 @@ C5H3 { specie { - nMoles 1; molWeight 63.0797; } thermodynamics @@ -18380,7 +17233,6 @@ Bi(OH)3 { specie { - nMoles 1; molWeight 260.002; } thermodynamics @@ -18396,7 +17248,6 @@ C10H10_1,1p(C5H5)2 { specie { - nMoles 1; molWeight 130.191; } thermodynamics @@ -18412,7 +17263,6 @@ C6H14O_2-hexanol { specie { - nMoles 1; molWeight 102.178; } thermodynamics @@ -18428,7 +17278,6 @@ CH2N2O2_H2C=NNO2 { specie { - nMoles 1; molWeight 74.0393; } thermodynamics @@ -18444,7 +17293,6 @@ C4H10O2_t-perox { specie { - nMoles 1; molWeight 90.1231; } thermodynamics @@ -18460,7 +17308,6 @@ CH3NO__HO-CH=NH { specie { - nMoles 1; molWeight 45.0412; } thermodynamics @@ -18476,7 +17323,6 @@ BiCl2 { specie { - nMoles 1; molWeight 279.886; } thermodynamics @@ -18492,7 +17338,6 @@ Br2(cr) { specie { - nMoles 1; molWeight 159.802; } thermodynamics @@ -18508,7 +17353,6 @@ ClO3F { specie { - nMoles 1; molWeight 102.45; } thermodynamics @@ -18524,7 +17368,6 @@ Po+_Polonium_catio { specie { - nMoles 1; molWeight 209.999; } thermodynamics @@ -18540,7 +17383,6 @@ BrO- { specie { - nMoles 1; molWeight 95.9008; } thermodynamics @@ -18556,7 +17398,6 @@ Fe.947O(L) { specie { - nMoles 1; molWeight 71.8464; } thermodynamics @@ -18572,7 +17413,6 @@ s-(CH3COOH)2 { specie { - nMoles 1; molWeight 120.106; } thermodynamics @@ -18588,7 +17428,6 @@ SF4- { specie { - nMoles 1; molWeight 108.058; } thermodynamics @@ -18604,7 +17443,6 @@ SF5Cl { specie { - nMoles 1; molWeight 162.509; } thermodynamics @@ -18620,7 +17458,6 @@ T_Tritium__(g) { specie { - nMoles 1; molWeight 3.016; } thermodynamics @@ -18636,7 +17473,6 @@ NH4ClO4(I) { specie { - nMoles 1; molWeight 117.489; } thermodynamics @@ -18652,7 +17488,6 @@ SO2- { specie { - nMoles 1; molWeight 64.0633; } thermodynamics @@ -18668,7 +17503,6 @@ s-1-C10H7-CC* { specie { - nMoles 1; molWeight 151.19; } thermodynamics @@ -18684,7 +17518,6 @@ CNN+ { specie { - nMoles 1; molWeight 40.024; } thermodynamics @@ -18700,7 +17533,6 @@ C4Cl6_Butadiene { specie { - nMoles 1; molWeight 260.763; } thermodynamics @@ -18716,7 +17548,6 @@ Pb(G) { specie { - nMoles 1; molWeight 207.19; } thermodynamics @@ -18732,7 +17563,6 @@ TBr_Tritium_Brom { specie { - nMoles 1; molWeight 127.801; } thermodynamics @@ -18748,7 +17578,6 @@ CH5N2__CH2*NHNH2 { specie { - nMoles 1; molWeight 45.0644; } thermodynamics @@ -18764,7 +17593,6 @@ PF2Cl { specie { - nMoles 1; molWeight 104.424; } thermodynamics @@ -18780,7 +17608,6 @@ N2O_NON { specie { - nMoles 1; molWeight 44.0128; } thermodynamics @@ -18796,7 +17623,6 @@ P3 { specie { - nMoles 1; molWeight 92.9214; } thermodynamics @@ -18812,7 +17638,6 @@ C14H10O_Phenantrol { specie { - nMoles 1; molWeight 194.235; } thermodynamics @@ -18828,7 +17653,6 @@ C3H9N__(CH3)3N { specie { - nMoles 1; molWeight 59.1119; } thermodynamics @@ -18844,7 +17668,6 @@ N2O4__ONONO2 { specie { - nMoles 1; molWeight 92.011; } thermodynamics @@ -18860,7 +17683,6 @@ F2 { specie { - nMoles 1; molWeight 37.9968; } thermodynamics @@ -18876,7 +17698,6 @@ C2N-__C-CN- { specie { - nMoles 1; molWeight 38.0295; } thermodynamics @@ -18892,7 +17713,6 @@ CH+ { specie { - nMoles 1; molWeight 13.0186; } thermodynamics @@ -18908,7 +17728,6 @@ MgF2(cr)I { specie { - nMoles 1; molWeight 62.3088; } thermodynamics @@ -18924,7 +17743,6 @@ C6H5Cl+_Chlorobe { specie { - nMoles 1; molWeight 112.559; } thermodynamics @@ -18940,7 +17758,6 @@ C16H9_2-Pyrenyl { specie { - nMoles 1; molWeight 201.25; } thermodynamics @@ -18956,7 +17773,6 @@ CH- { specie { - nMoles 1; molWeight 13.0197; } thermodynamics @@ -18972,7 +17788,6 @@ NHF2 { specie { - nMoles 1; molWeight 53.0115; } thermodynamics @@ -18988,7 +17803,6 @@ C8H14_Bicyclooctan { specie { - nMoles 1; molWeight 110.201; } thermodynamics @@ -19004,7 +17818,6 @@ HNOH_trans_&_Equ { specie { - nMoles 1; molWeight 32.022; } thermodynamics @@ -19020,7 +17833,6 @@ C2HO__HCC=O- { specie { - nMoles 1; molWeight 41.0302; } thermodynamics @@ -19036,7 +17848,6 @@ C4H9O2_n-Butyl_P { specie { - nMoles 1; molWeight 89.1151; } thermodynamics @@ -19052,7 +17863,6 @@ CD4__ANHARMONIC { specie { - nMoles 1; molWeight 20.0676; } thermodynamics @@ -19068,7 +17878,6 @@ CH2=CH-NO2_Nitroe { specie { - nMoles 1; molWeight 73.0517; } thermodynamics @@ -19084,7 +17893,6 @@ C3HCl3__TriClAllen { specie { - nMoles 1; molWeight 143.4; } thermodynamics @@ -19100,7 +17908,6 @@ C2H4Cl2_1,1-Dich { specie { - nMoles 1; molWeight 98.9602; } thermodynamics @@ -19116,7 +17923,6 @@ CH3-CO-O-O-CO-CH3 { specie { - nMoles 1; molWeight 118.09; } thermodynamics @@ -19132,7 +17938,6 @@ C3H8O_1propanol { specie { - nMoles 1; molWeight 60.0966; } thermodynamics @@ -19148,7 +17953,6 @@ C13H28_TriDecane { specie { - nMoles 1; molWeight 184.368; } thermodynamics @@ -19164,7 +17968,6 @@ C4H8O2_EtAcetate { specie { - nMoles 1; molWeight 88.1072; } thermodynamics @@ -19180,7 +17983,6 @@ BrF { specie { - nMoles 1; molWeight 98.8993; } thermodynamics @@ -19196,7 +17998,6 @@ C5H9_1buten3m1yl { specie { - nMoles 1; molWeight 69.1275; } thermodynamics @@ -19212,7 +18013,6 @@ C30H62_Triacotane { specie { - nMoles 1; molWeight 422.829; } thermodynamics @@ -19228,7 +18028,6 @@ Kr+ { specie { - nMoles 1; molWeight 83.7995; } thermodynamics @@ -19244,7 +18043,6 @@ C4H6O_H3CCH2CH=C { specie { - nMoles 1; molWeight 70.0918; } thermodynamics @@ -19260,7 +18058,6 @@ SCl2 { specie { - nMoles 1; molWeight 102.97; } thermodynamics @@ -19276,7 +18073,6 @@ CCl3OH { specie { - nMoles 1; molWeight 135.378; } thermodynamics @@ -19292,7 +18088,6 @@ C8H10_C6H5C2H5 { specie { - nMoles 1; molWeight 106.169; } thermodynamics @@ -19308,7 +18103,6 @@ C3H2F3_CF3-C*=CH2 { specie { - nMoles 1; molWeight 95.0446; } thermodynamics @@ -19324,7 +18118,6 @@ CH3CCl3_1,1,1- { specie { - nMoles 1; molWeight 133.405; } thermodynamics @@ -19340,7 +18133,6 @@ DNO- { specie { - nMoles 1; molWeight 32.0207; } thermodynamics @@ -19356,7 +18148,6 @@ C5H9O2_Valeryl { specie { - nMoles 1; molWeight 101.126; } thermodynamics @@ -19372,7 +18163,6 @@ C8H17_n-octyl { specie { - nMoles 1; molWeight 113.225; } thermodynamics @@ -19388,7 +18178,6 @@ C4H8O_2-Butanone { specie { - nMoles 1; molWeight 72.1078; } thermodynamics @@ -19404,7 +18193,6 @@ C2H4Cl_alfaClEthyl { specie { - nMoles 1; molWeight 63.5072; } thermodynamics @@ -19420,7 +18208,6 @@ C3H5_SYMMETRIC { specie { - nMoles 1; molWeight 41.0733; } thermodynamics @@ -19436,7 +18223,6 @@ HCOO__Formyloxy { specie { - nMoles 1; molWeight 45.0179; } thermodynamics @@ -19452,7 +18238,6 @@ C3H6O3_Lactic_Ac { specie { - nMoles 1; molWeight 90.0795; } thermodynamics @@ -19468,7 +18253,6 @@ MgBr2(L) { specie { - nMoles 1; molWeight 184.114; } thermodynamics @@ -19484,7 +18268,6 @@ BCl+ { specie { - nMoles 1; molWeight 46.2635; } thermodynamics @@ -19500,7 +18283,6 @@ CHNH2-__anion__H { specie { - nMoles 1; molWeight 29.0423; } thermodynamics @@ -19516,7 +18298,6 @@ CHBrCl2__FC-20B1 { specie { - nMoles 1; molWeight 163.826; } thermodynamics @@ -19532,7 +18313,6 @@ Cu(cr) { specie { - nMoles 1; molWeight 63.54; } thermodynamics @@ -19548,7 +18328,6 @@ CH2N-__H*C=NH_cis { specie { - nMoles 1; molWeight 28.0343; } thermodynamics @@ -19564,7 +18343,6 @@ C4H7__1-meth-allyl { specie { - nMoles 1; molWeight 55.1004; } thermodynamics @@ -19580,7 +18358,6 @@ PH- { specie { - nMoles 1; molWeight 31.9818; } thermodynamics @@ -19596,7 +18373,6 @@ SF6 { specie { - nMoles 1; molWeight 146.054; } thermodynamics @@ -19612,7 +18388,6 @@ CH3N__(H2C=NH) { specie { - nMoles 1; molWeight 29.0418; } thermodynamics @@ -19628,7 +18403,6 @@ HAlO2 { specie { - nMoles 1; molWeight 59.9883; } thermodynamics @@ -19644,7 +18418,6 @@ HCN { specie { - nMoles 1; molWeight 27.0258; } thermodynamics @@ -19660,7 +18433,6 @@ AlO2 { specie { - nMoles 1; molWeight 58.9803; } thermodynamics @@ -19676,7 +18448,6 @@ HOCl { specie { - nMoles 1; molWeight 52.4604; } thermodynamics @@ -19692,7 +18463,6 @@ Na2O2 { specie { - nMoles 1; molWeight 77.9784; } thermodynamics @@ -19708,7 +18478,6 @@ C12D10_Biphenyl { specie { - nMoles 1; molWeight 164.275; } thermodynamics @@ -19724,7 +18493,6 @@ C4H7O2_MePropionat { specie { - nMoles 1; molWeight 87.0992; } thermodynamics @@ -19740,7 +18508,6 @@ C6H11I_IodocyHexan { specie { - nMoles 1; molWeight 210.059; } thermodynamics @@ -19756,7 +18523,6 @@ Cl- { specie { - nMoles 1; molWeight 35.4535; } thermodynamics @@ -19772,7 +18538,6 @@ CF+ { specie { - nMoles 1; molWeight 31.009; } thermodynamics @@ -19788,7 +18553,6 @@ FeS(G) { specie { - nMoles 1; molWeight 87.911; } thermodynamics @@ -19804,7 +18568,6 @@ Bi(CH3)2___HF298 { specie { - nMoles 1; molWeight 239.05; } thermodynamics @@ -19820,7 +18583,6 @@ C7H7_Quadri_Base { specie { - nMoles 1; molWeight 91.1338; } thermodynamics @@ -19836,7 +18598,6 @@ CBrCl3_Bromotric { specie { - nMoles 1; molWeight 198.271; } thermodynamics @@ -19852,7 +18613,6 @@ CCl3F___FC-11 { specie { - nMoles 1; molWeight 137.369; } thermodynamics @@ -19868,7 +18628,6 @@ MnS___Solid { specie { - nMoles 1; molWeight 87.002; } thermodynamics @@ -19884,7 +18643,6 @@ BrF3 { specie { - nMoles 1; molWeight 136.896; } thermodynamics @@ -19900,7 +18658,6 @@ HNCO_Isocyanic_Aci { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -19916,7 +18673,6 @@ NT_Tritium_Nitro { specie { - nMoles 1; molWeight 17.0306; } thermodynamics @@ -19932,7 +18688,6 @@ B(S) { specie { - nMoles 1; molWeight 10.811; } thermodynamics @@ -19948,7 +18703,6 @@ C4H2__butadiyne { specie { - nMoles 1; molWeight 50.0605; } thermodynamics @@ -19964,7 +18718,6 @@ P3O6 { specie { - nMoles 1; molWeight 188.918; } thermodynamics @@ -19980,7 +18733,6 @@ P4O10 { specie { - nMoles 1; molWeight 283.889; } thermodynamics @@ -19996,7 +18748,6 @@ FeSO4(S) { specie { - nMoles 1; molWeight 151.909; } thermodynamics @@ -20012,7 +18763,6 @@ C2Br4 { specie { - nMoles 1; molWeight 343.626; } thermodynamics @@ -20028,7 +18778,6 @@ MnS2_(S) { specie { - nMoles 1; molWeight 119.066; } thermodynamics @@ -20044,7 +18793,6 @@ CH3-NH-NH-CH3_Sy { specie { - nMoles 1; molWeight 60.0995; } thermodynamics @@ -20060,7 +18808,6 @@ DOBr { specie { - nMoles 1; molWeight 97.9144; } thermodynamics @@ -20076,7 +18823,6 @@ P4O10(L) { specie { - nMoles 1; molWeight 283.889; } thermodynamics @@ -20092,7 +18838,6 @@ C3H6O_MeOxyrane { specie { - nMoles 1; molWeight 58.0807; } thermodynamics @@ -20108,7 +18853,6 @@ C4__triplet { specie { - nMoles 1; molWeight 48.0446; } thermodynamics @@ -20124,7 +18868,6 @@ Si2H6__Disilane { specie { - nMoles 1; molWeight 62.2198; } thermodynamics @@ -20140,7 +18883,6 @@ FeO { specie { - nMoles 1; molWeight 71.8464; } thermodynamics @@ -20156,7 +18898,6 @@ C3H2F3_CF3-CH=CH* { specie { - nMoles 1; molWeight 95.0446; } thermodynamics @@ -20172,7 +18913,6 @@ Cl2 { specie { - nMoles 1; molWeight 70.906; } thermodynamics @@ -20188,7 +18928,6 @@ Al2O+ { specie { - nMoles 1; molWeight 69.9619; } thermodynamics @@ -20204,7 +18943,6 @@ NOH { specie { - nMoles 1; molWeight 31.0141; } thermodynamics @@ -20220,7 +18958,6 @@ OH+ { specie { - nMoles 1; molWeight 17.0068; } thermodynamics @@ -20236,7 +18973,6 @@ N3H { specie { - nMoles 1; molWeight 43.0281; } thermodynamics @@ -20252,7 +18988,6 @@ COH { specie { - nMoles 1; molWeight 29.0185; } thermodynamics @@ -20268,7 +19003,6 @@ C4Cl2 { specie { - nMoles 1; molWeight 118.951; } thermodynamics @@ -20284,7 +19018,6 @@ s-1,2,3,4-C6H2Cl4 { specie { - nMoles 1; molWeight 215.895; } thermodynamics @@ -20300,7 +19033,6 @@ NITROETHYLENE { specie { - nMoles 1; molWeight 73.0517; } thermodynamics @@ -20316,7 +19048,6 @@ C5H10,cyclo- { specie { - nMoles 1; molWeight 70.1355; } thermodynamics @@ -20332,7 +19063,6 @@ DOCl { specie { - nMoles 1; molWeight 53.4665; } thermodynamics @@ -20348,7 +19078,6 @@ PO2 { specie { - nMoles 1; molWeight 62.9726; } thermodynamics @@ -20364,7 +19093,6 @@ NH2D { specie { - nMoles 1; molWeight 18.0367; } thermodynamics @@ -20380,7 +19108,6 @@ C4H4O_Vin-KETENE { specie { - nMoles 1; molWeight 68.0759; } thermodynamics @@ -20396,7 +19123,6 @@ NO { specie { - nMoles 1; molWeight 30.0061; } thermodynamics @@ -20412,7 +19138,6 @@ NO2Cl { specie { - nMoles 1; molWeight 81.4585; } thermodynamics @@ -20428,7 +19153,6 @@ C5H7_1,4-diene-3yl { specie { - nMoles 1; molWeight 67.1115; } thermodynamics @@ -20444,7 +19168,6 @@ MgBr2(cr) { specie { - nMoles 1; molWeight 184.114; } thermodynamics @@ -20460,7 +19183,6 @@ FO { specie { - nMoles 1; molWeight 34.9978; } thermodynamics @@ -20476,7 +19198,6 @@ C6H9I-3-iodo { specie { - nMoles 1; molWeight 208.043; } thermodynamics @@ -20492,7 +19213,6 @@ FeCl3 { specie { - nMoles 1; molWeight 162.206; } thermodynamics @@ -20508,7 +19228,6 @@ NO3F { specie { - nMoles 1; molWeight 81.0033; } thermodynamics @@ -20524,7 +19243,6 @@ C22H18_(C10H7CH2)2 { specie { - nMoles 1; molWeight 282.389; } thermodynamics @@ -20540,7 +19258,6 @@ C2HCl5 { specie { - nMoles 1; molWeight 202.295; } thermodynamics @@ -20556,7 +19273,6 @@ C3H3+_CH2=C=CH+ { specie { - nMoles 1; molWeight 39.0568; } thermodynamics @@ -20572,7 +19288,6 @@ CCl4 { specie { - nMoles 1; molWeight 153.823; } thermodynamics @@ -20588,7 +19303,6 @@ C2HBr { specie { - nMoles 1; molWeight 104.931; } thermodynamics @@ -20604,7 +19318,6 @@ N2H4_HYDRAZINE { specie { - nMoles 1; molWeight 32.0453; } thermodynamics @@ -20620,7 +19333,6 @@ RDX_135_Triazine { specie { - nMoles 1; molWeight 222.118; } thermodynamics @@ -20636,7 +19348,6 @@ C2H4O3_HOCH2COOH { specie { - nMoles 1; molWeight 76.0524; } thermodynamics @@ -20652,7 +19363,6 @@ C14H9_1-Phenantr { specie { - nMoles 1; molWeight 177.228; } thermodynamics @@ -20668,7 +19378,6 @@ HFCO+ { specie { - nMoles 1; molWeight 48.0169; } thermodynamics @@ -20684,7 +19393,6 @@ C4H8S2_1,3_Dithi { specie { - nMoles 1; molWeight 120.236; } thermodynamics @@ -20700,7 +19408,6 @@ ZnCO3_solid { specie { - nMoles 1; molWeight 125.379; } thermodynamics @@ -20716,7 +19423,6 @@ IO2__O-I-O { specie { - nMoles 1; molWeight 158.903; } thermodynamics @@ -20732,7 +19438,6 @@ CH2_SINGLET { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -20748,7 +19453,6 @@ CHON3_FormilAzide { specie { - nMoles 1; molWeight 71.0386; } thermodynamics @@ -20764,7 +19468,6 @@ C12H26O_1-dodeca { specie { - nMoles 1; molWeight 186.34; } thermodynamics @@ -20780,7 +19483,6 @@ KO { specie { - nMoles 1; molWeight 55.1014; } thermodynamics @@ -20796,7 +19498,6 @@ Mn { specie { - nMoles 1; molWeight 54.938; } thermodynamics @@ -20812,7 +19513,6 @@ C10H20_1-Decene { specie { - nMoles 1; molWeight 140.271; } thermodynamics @@ -20828,7 +19528,6 @@ ZrN(cr) { specie { - nMoles 1; molWeight 105.227; } thermodynamics @@ -20844,7 +19543,6 @@ AlF { specie { - nMoles 1; molWeight 45.9799; } thermodynamics @@ -20860,7 +19558,6 @@ CF3O2_CF3O-O* { specie { - nMoles 1; molWeight 101.005; } thermodynamics @@ -20876,7 +19573,6 @@ C4H7__tt-1buten- { specie { - nMoles 1; molWeight 55.1004; } thermodynamics @@ -20892,7 +19588,6 @@ C15H30O2_memyrist { specie { - nMoles 1; molWeight 242.405; } thermodynamics @@ -20908,7 +19603,6 @@ CD2O_Deutherofor { specie { - nMoles 1; molWeight 32.0388; } thermodynamics @@ -20924,7 +19618,6 @@ MgI2 { specie { - nMoles 1; molWeight 278.121; } thermodynamics @@ -20940,7 +19633,6 @@ C2Cl { specie { - nMoles 1; molWeight 59.4753; } thermodynamics @@ -20956,7 +19648,6 @@ C10H20_CycloDecan { specie { - nMoles 1; molWeight 140.271; } thermodynamics @@ -20972,7 +19663,6 @@ CHI3__IODOFORM { specie { - nMoles 1; molWeight 393.732; } thermodynamics @@ -20988,7 +19678,6 @@ Mn3O4__Solid-A { specie { - nMoles 1; molWeight 228.812; } thermodynamics @@ -21004,7 +19693,6 @@ Bi2O3 { specie { - nMoles 1; molWeight 465.958; } thermodynamics @@ -21020,7 +19708,6 @@ C5H4N__linear_Ra { specie { - nMoles 1; molWeight 78.0943; } thermodynamics @@ -21036,7 +19723,6 @@ P(cr) { specie { - nMoles 1; molWeight 30.9738; } thermodynamics @@ -21052,7 +19738,6 @@ C20H34O2_EtLinolen { specie { - nMoles 1; molWeight 306.493; } thermodynamics @@ -21068,7 +19753,6 @@ C4F6_1,3-Butadiene { specie { - nMoles 1; molWeight 162.035; } thermodynamics @@ -21084,7 +19768,6 @@ NCN+ { specie { - nMoles 1; molWeight 40.024; } thermodynamics @@ -21100,7 +19783,6 @@ MgOH+ { specie { - nMoles 1; molWeight 41.3188; } thermodynamics @@ -21116,7 +19798,6 @@ Zn3N2_solid { specie { - nMoles 1; molWeight 224.123; } thermodynamics @@ -21132,7 +19813,6 @@ BO2- { specie { - nMoles 1; molWeight 42.8103; } thermodynamics @@ -21148,7 +19828,6 @@ O2+ { specie { - nMoles 1; molWeight 31.9983; } thermodynamics @@ -21164,7 +19843,6 @@ C22H14_Pentafene { specie { - nMoles 1; molWeight 278.357; } thermodynamics @@ -21180,7 +19858,6 @@ Cr2FeO4 { specie { - nMoles 1; molWeight 223.837; } thermodynamics @@ -21196,7 +19873,6 @@ ND2H { specie { - nMoles 1; molWeight 19.0429; } thermodynamics @@ -21212,7 +19888,6 @@ C3H3_CH2(CH=C*) { specie { - nMoles 1; molWeight 39.0574; } thermodynamics @@ -21228,7 +19903,6 @@ CF- { specie { - nMoles 1; molWeight 31.0101; } thermodynamics @@ -21244,7 +19918,6 @@ C5H8Cl { specie { - nMoles 1; molWeight 103.573; } thermodynamics @@ -21260,7 +19933,6 @@ s-1,2,3,C6H3Cl3_1, { specie { - nMoles 1; molWeight 181.45; } thermodynamics @@ -21276,7 +19948,6 @@ HCOOH_FORMIC_ACID { specie { - nMoles 1; molWeight 46.0259; } thermodynamics @@ -21292,7 +19963,6 @@ GeS2(L) { specie { - nMoles 1; molWeight 136.718; } thermodynamics @@ -21308,7 +19978,6 @@ I2(L) { specie { - nMoles 1; molWeight 253.809; } thermodynamics @@ -21324,7 +19993,6 @@ C6H12O2_Caproic_ac { specie { - nMoles 1; molWeight 116.161; } thermodynamics @@ -21340,7 +20008,6 @@ K(cr) { specie { - nMoles 1; molWeight 39.102; } thermodynamics @@ -21356,7 +20023,6 @@ AlO2- { specie { - nMoles 1; molWeight 58.9808; } thermodynamics @@ -21372,7 +20038,6 @@ N3-_anion { specie { - nMoles 1; molWeight 42.0206; } thermodynamics @@ -21388,7 +20053,6 @@ C6H14,n-hexane { specie { - nMoles 1; molWeight 86.1785; } thermodynamics @@ -21404,7 +20068,6 @@ CH2O2-_CH2OO- { specie { - nMoles 1; molWeight 46.0264; } thermodynamics @@ -21420,7 +20083,6 @@ C13H26O2_Me-ester { specie { - nMoles 1; molWeight 214.351; } thermodynamics @@ -21436,7 +20098,6 @@ Mg(OH)2(L) { specie { - nMoles 1; molWeight 58.3267; } thermodynamics @@ -21452,7 +20113,6 @@ C3HN_Cyano-Acety { specie { - nMoles 1; molWeight 51.0481; } thermodynamics @@ -21468,7 +20128,6 @@ TNT____Solid_Yin { specie { - nMoles 1; molWeight 227.134; } thermodynamics @@ -21484,7 +20143,6 @@ C7H15__Neoheptyl-1 { specie { - nMoles 1; molWeight 99.1976; } thermodynamics @@ -21500,7 +20158,6 @@ C7H6O2_C6H5-COOH { specie { - nMoles 1; molWeight 122.125; } thermodynamics @@ -21516,7 +20173,6 @@ ZrO2(L) { specie { - nMoles 1; molWeight 123.219; } thermodynamics @@ -21532,7 +20188,6 @@ CH3NH_radical { specie { - nMoles 1; molWeight 30.0497; } thermodynamics @@ -21548,7 +20203,6 @@ C4H4N2_SUCCINONITR { specie { - nMoles 1; molWeight 80.0899; } thermodynamics @@ -21564,7 +20218,6 @@ C3HCl2OH { specie { - nMoles 1; molWeight 124.955; } thermodynamics @@ -21580,7 +20233,6 @@ NOCl { specie { - nMoles 1; molWeight 65.4591; } thermodynamics @@ -21596,7 +20248,6 @@ BI { specie { - nMoles 1; molWeight 137.715; } thermodynamics @@ -21612,7 +20263,6 @@ C4H7O2_Butyrat { specie { - nMoles 1; molWeight 87.0992; } thermodynamics @@ -21628,7 +20278,6 @@ Mg3N2(cr) { specie { - nMoles 1; molWeight 100.949; } thermodynamics @@ -21644,7 +20293,6 @@ CBr3__Radical { specie { - nMoles 1; molWeight 251.714; } thermodynamics @@ -21660,7 +20308,6 @@ ClF5 { specie { - nMoles 1; molWeight 130.445; } thermodynamics @@ -21676,7 +20323,6 @@ C5F12__FC_41-12 { specie { - nMoles 1; molWeight 288.037; } thermodynamics @@ -21692,7 +20338,6 @@ C20H10__CORANNUL { specie { - nMoles 1; molWeight 250.303; } thermodynamics @@ -21708,7 +20353,6 @@ C4H7O_2-butyralde { specie { - nMoles 1; molWeight 71.0998; } thermodynamics @@ -21724,7 +20368,6 @@ Po_Polonium { specie { - nMoles 1; molWeight 210; } thermodynamics @@ -21740,7 +20383,6 @@ D2 { specie { - nMoles 1; molWeight 4.0282; } thermodynamics @@ -21756,7 +20398,6 @@ COF2+__cation { specie { - nMoles 1; molWeight 66.0068; } thermodynamics @@ -21772,7 +20413,6 @@ Mg { specie { - nMoles 1; molWeight 24.312; } thermodynamics @@ -21788,7 +20428,6 @@ s-(CH3)2N-NH* { specie { - nMoles 1; molWeight 59.0915; } thermodynamics @@ -21804,7 +20443,6 @@ C10H8_Naphthalene { specie { - nMoles 1; molWeight 128.175; } thermodynamics @@ -21820,7 +20458,6 @@ IO { specie { - nMoles 1; molWeight 142.904; } thermodynamics @@ -21836,7 +20473,6 @@ MgO(L) { specie { - nMoles 1; molWeight 40.3114; } thermodynamics @@ -21852,7 +20488,6 @@ Fe.947O(S) { specie { - nMoles 1; molWeight 71.8464; } thermodynamics @@ -21868,7 +20503,6 @@ HNO { specie { - nMoles 1; molWeight 31.0141; } thermodynamics @@ -21884,7 +20518,6 @@ N3+_cation { specie { - nMoles 1; molWeight 42.0196; } thermodynamics @@ -21900,7 +20533,6 @@ C2N2Hg_(CN)2Hg { specie { - nMoles 1; molWeight 252.626; } thermodynamics @@ -21916,7 +20548,6 @@ C6H5F_Fluorobenz { specie { - nMoles 1; molWeight 96.1052; } thermodynamics @@ -21932,7 +20563,6 @@ C18H34O2_EtPalmOle { specie { - nMoles 1; molWeight 282.47; } thermodynamics @@ -21948,7 +20578,6 @@ NH4+ { specie { - nMoles 1; molWeight 18.038; } thermodynamics @@ -21964,7 +20593,6 @@ C12H_linear { specie { - nMoles 1; molWeight 145.142; } thermodynamics @@ -21980,7 +20608,6 @@ CH3SS_radical { specie { - nMoles 1; molWeight 79.1631; } thermodynamics @@ -21996,7 +20623,6 @@ Ni { specie { - nMoles 1; molWeight 58.71; } thermodynamics @@ -22012,7 +20638,6 @@ CYCLOPENTADIENE { specie { - nMoles 1; molWeight 66.1036; } thermodynamics @@ -22028,7 +20653,6 @@ ZrC(cr) { specie { - nMoles 1; molWeight 103.231; } thermodynamics @@ -22044,7 +20668,6 @@ CCl2F { specie { - nMoles 1; molWeight 101.916; } thermodynamics @@ -22060,7 +20683,6 @@ C7H__linear { specie { - nMoles 1; molWeight 85.086; } thermodynamics @@ -22076,7 +20698,6 @@ C9H11_PropylBenzen { specie { - nMoles 1; molWeight 119.188; } thermodynamics @@ -22092,7 +20713,6 @@ NH2+_cation { specie { - nMoles 1; molWeight 16.0221; } thermodynamics @@ -22108,7 +20728,6 @@ CH3-N*-CH3 { specie { - nMoles 1; molWeight 44.0768; } thermodynamics @@ -22124,7 +20743,6 @@ S-C3H5_CH3CH=CH* { specie { - nMoles 1; molWeight 41.0733; } thermodynamics @@ -22140,7 +20758,6 @@ CH2NC_Radical { specie { - nMoles 1; molWeight 40.0449; } thermodynamics @@ -22156,7 +20773,6 @@ PF+ { specie { - nMoles 1; molWeight 49.9717; } thermodynamics @@ -22172,7 +20788,6 @@ H2O2+__cis { specie { - nMoles 1; molWeight 34.0142; } thermodynamics @@ -22188,7 +20803,6 @@ Sb(OH)3 { specie { - nMoles 1; molWeight 172.772; } thermodynamics @@ -22204,7 +20818,6 @@ CF4____FC-14 { specie { - nMoles 1; molWeight 88.0048; } thermodynamics @@ -22220,7 +20833,6 @@ IR_(cr) { specie { - nMoles 1; molWeight 192.2; } thermodynamics @@ -22236,7 +20848,6 @@ C3HBr2O*__Radica { specie { - nMoles 1; molWeight 212.843; } thermodynamics @@ -22252,7 +20863,6 @@ C3O2+_O=C=C=C=O+ { specie { - nMoles 1; molWeight 68.0317; } thermodynamics @@ -22268,7 +20878,6 @@ s-1-C10H7-CH=CH* { specie { - nMoles 1; molWeight 153.206; } thermodynamics @@ -22284,7 +20893,6 @@ Fe3O4(S)_Solid-A { specie { - nMoles 1; molWeight 231.539; } thermodynamics @@ -22300,7 +20908,6 @@ HCS_Radical { specie { - nMoles 1; molWeight 45.0831; } thermodynamics @@ -22316,7 +20923,6 @@ SN { specie { - nMoles 1; molWeight 46.0707; } thermodynamics @@ -22332,7 +20938,6 @@ HgCl_____Calomel { specie { - nMoles 1; molWeight 236.043; } thermodynamics @@ -22348,7 +20953,6 @@ C8H20PB_PB(C2H5)4 { specie { - nMoles 1; molWeight 323.439; } thermodynamics @@ -22364,7 +20968,6 @@ I+ { specie { - nMoles 1; molWeight 126.904; } thermodynamics @@ -22380,7 +20983,6 @@ C3H4N__CH3-CH*-CN { specie { - nMoles 1; molWeight 54.072; } thermodynamics @@ -22396,7 +20998,6 @@ PFCl { specie { - nMoles 1; molWeight 85.4252; } thermodynamics @@ -22412,7 +21013,6 @@ C7H14O2_MeCaproate { specie { - nMoles 1; molWeight 130.188; } thermodynamics @@ -22428,7 +21028,6 @@ C2H2O2_HOCH=C=O { specie { - nMoles 1; molWeight 58.037; } thermodynamics @@ -22444,7 +21043,6 @@ CH3ONO { specie { - nMoles 1; molWeight 61.0406; } thermodynamics @@ -22460,7 +21058,6 @@ CH2_TRIPLET { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -22476,7 +21073,6 @@ NH4NO3(III) { specie { - nMoles 1; molWeight 80.0435; } thermodynamics @@ -22492,7 +21088,6 @@ C7H7ON_AcetPyridin { specie { - nMoles 1; molWeight 121.14; } thermodynamics @@ -22508,7 +21103,6 @@ C3H6O3_Trioxane { specie { - nMoles 1; molWeight 90.0795; } thermodynamics @@ -22524,7 +21118,6 @@ AlH { specie { - nMoles 1; molWeight 27.9895; } thermodynamics @@ -22540,7 +21133,6 @@ C2H2+_Acetylene+ { specie { - nMoles 1; molWeight 26.0377; } thermodynamics @@ -22556,7 +21148,6 @@ C18H35O2_Stearyl { specie { - nMoles 1; molWeight 283.478; } thermodynamics @@ -22572,7 +21163,6 @@ C10H16_Adamantane { specie { - nMoles 1; molWeight 136.239; } thermodynamics @@ -22588,7 +21178,6 @@ C2H+ { specie { - nMoles 1; molWeight 25.0297; } thermodynamics @@ -22604,7 +21193,6 @@ s-*CH2(CH3)-N-NH2 { specie { - nMoles 1; molWeight 59.0915; } thermodynamics @@ -22620,7 +21208,6 @@ C6H6_1,3-Hexadiyn { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -22636,7 +21223,6 @@ C5H5N5__Adenine { specie { - nMoles 1; molWeight 135.129; } thermodynamics @@ -22652,7 +21238,6 @@ C7H16_ISOHEPTANE { specie { - nMoles 1; molWeight 100.206; } thermodynamics @@ -22668,7 +21253,6 @@ NHF { specie { - nMoles 1; molWeight 34.0131; } thermodynamics @@ -22684,7 +21268,6 @@ IC2H4OH { specie { - nMoles 1; molWeight 171.966; } thermodynamics @@ -22700,7 +21283,6 @@ FCN { specie { - nMoles 1; molWeight 45.0162; } thermodynamics @@ -22716,7 +21298,6 @@ He { specie { - nMoles 1; molWeight 4.0026; } thermodynamics @@ -22732,7 +21313,6 @@ C2H5O+__CH3C*HOH+ { specie { - nMoles 1; molWeight 45.061; } thermodynamics @@ -22748,7 +21328,6 @@ D { specie { - nMoles 1; molWeight 2.0141; } thermodynamics @@ -22764,7 +21343,6 @@ C2Cl2F4_CF3CFCl2 { specie { - nMoles 1; molWeight 170.922; } thermodynamics @@ -22780,7 +21358,6 @@ CH2O2_cycCH2(OO) { specie { - nMoles 1; molWeight 46.0259; } thermodynamics @@ -22796,7 +21373,6 @@ SbCl2 { specie { - nMoles 1; molWeight 192.656; } thermodynamics @@ -22812,7 +21388,6 @@ Al2O3 { specie { - nMoles 1; molWeight 101.961; } thermodynamics @@ -22828,7 +21403,6 @@ C5H11__neopentyl { specie { - nMoles 1; molWeight 71.1434; } thermodynamics @@ -22844,7 +21418,6 @@ C2F2 { specie { - nMoles 1; molWeight 62.0191; } thermodynamics @@ -22860,7 +21433,6 @@ ClHC=C=CCl(O*) { specie { - nMoles 1; molWeight 123.947; } thermodynamics @@ -22876,7 +21448,6 @@ s-2,4-C6H4Cl2O_tr { specie { - nMoles 1; molWeight 163.004; } thermodynamics @@ -22892,7 +21463,6 @@ CH5O+__OH2CH3+ { specie { - nMoles 1; molWeight 33.0499; } thermodynamics @@ -22908,7 +21478,6 @@ OH { specie { - nMoles 1; molWeight 17.0074; } thermodynamics @@ -22924,7 +21493,6 @@ C3H6_propylene { specie { - nMoles 1; molWeight 42.0813; } thermodynamics @@ -22940,7 +21508,6 @@ FeCl3(s) { specie { - nMoles 1; molWeight 162.206; } thermodynamics @@ -22956,7 +21523,6 @@ C4H7__3-buten-1-yl { specie { - nMoles 1; molWeight 55.1004; } thermodynamics @@ -22972,7 +21538,6 @@ C7H15O_3,3-dimet { specie { - nMoles 1; molWeight 115.197; } thermodynamics @@ -22988,7 +21553,6 @@ ZnSO4(a) { specie { - nMoles 1; molWeight 161.432; } thermodynamics @@ -23004,7 +21568,6 @@ INO2_NitroIodine { specie { - nMoles 1; molWeight 172.91; } thermodynamics @@ -23020,7 +21583,6 @@ C6H12O6__Glucose { specie { - nMoles 1; molWeight 180.159; } thermodynamics @@ -23036,7 +21598,6 @@ NiS2(cr) { specie { - nMoles 1; molWeight 122.838; } thermodynamics @@ -23052,7 +21613,6 @@ C7H5NO__Anthranil { specie { - nMoles 1; molWeight 119.124; } thermodynamics @@ -23068,7 +21628,6 @@ CH2(NO2)2 { specie { - nMoles 1; molWeight 106.038; } thermodynamics @@ -23084,7 +21643,6 @@ HNNH-__trans { specie { - nMoles 1; molWeight 30.0299; } thermodynamics @@ -23100,7 +21658,6 @@ SbCl5 { specie { - nMoles 1; molWeight 299.015; } thermodynamics @@ -23116,7 +21673,6 @@ C19H34O2_meLinolei { specie { - nMoles 1; molWeight 294.482; } thermodynamics @@ -23132,7 +21688,6 @@ SiH3__Silyl { specie { - nMoles 1; molWeight 31.1099; } thermodynamics @@ -23148,7 +21703,6 @@ Hg { specie { - nMoles 1; molWeight 200.59; } thermodynamics @@ -23164,7 +21718,6 @@ C6H5__FULVENYL_M { specie { - nMoles 1; molWeight 77.1068; } thermodynamics @@ -23180,7 +21733,6 @@ S { specie { - nMoles 1; molWeight 32.064; } thermodynamics @@ -23196,7 +21748,6 @@ BH4 { specie { - nMoles 1; molWeight 14.8429; } thermodynamics @@ -23212,7 +21763,6 @@ HF+ { specie { - nMoles 1; molWeight 20.0058; } thermodynamics @@ -23228,7 +21778,6 @@ C9H18O6_TATP { specie { - nMoles 1; molWeight 222.24; } thermodynamics @@ -23244,7 +21793,6 @@ C12H5Cl4O2_RAD { specie { - nMoles 1; molWeight 322.984; } thermodynamics @@ -23260,7 +21808,6 @@ CDH3 { specie { - nMoles 1; molWeight 17.0492; } thermodynamics @@ -23276,7 +21823,6 @@ C17H32O2_mepalmOle { specie { - nMoles 1; molWeight 268.443; } thermodynamics @@ -23292,7 +21838,6 @@ HNO2-_trans____H { specie { - nMoles 1; molWeight 47.014; } thermodynamics @@ -23308,7 +21853,6 @@ JET-A(G)_C12H23 { specie { - nMoles 1; molWeight 167.317; } thermodynamics @@ -23324,7 +21868,6 @@ O3__cyclo__O(OO) { specie { - nMoles 1; molWeight 47.9982; } thermodynamics @@ -23340,7 +21883,6 @@ H2O3+__HOOOH+ { specie { - nMoles 1; molWeight 50.0136; } thermodynamics @@ -23356,7 +21898,6 @@ C2H6O__CH3OCH3 { specie { - nMoles 1; molWeight 46.0695; } thermodynamics @@ -23372,7 +21913,6 @@ C12H4Cl4O3_1368 { specie { - nMoles 1; molWeight 337.976; } thermodynamics @@ -23388,7 +21928,6 @@ E-_electron_gas { specie { - nMoles 1; molWeight 0.000545; } thermodynamics @@ -23404,7 +21943,6 @@ NH2OH { specie { - nMoles 1; molWeight 33.03; } thermodynamics @@ -23420,7 +21958,6 @@ Mn5N2(S) { specie { - nMoles 1; molWeight 302.703; } thermodynamics @@ -23436,7 +21973,6 @@ P2 { specie { - nMoles 1; molWeight 61.9476; } thermodynamics @@ -23452,7 +21988,6 @@ CBr3Cl__TriBromo { specie { - nMoles 1; molWeight 287.167; } thermodynamics @@ -23468,7 +22003,6 @@ C6H3_CH2=C=C=C=C=C { specie { - nMoles 1; molWeight 75.0908; } thermodynamics @@ -23484,7 +22018,6 @@ ClF3 { specie { - nMoles 1; molWeight 92.4482; } thermodynamics @@ -23500,7 +22033,6 @@ C18H36O4_9,10-di { specie { - nMoles 1; molWeight 316.485; } thermodynamics @@ -23516,7 +22048,6 @@ SiHF3 { specie { - nMoles 1; molWeight 86.0892; } thermodynamics @@ -23532,7 +22063,6 @@ C5H12O(L) { specie { - nMoles 1; molWeight 88.1508; } thermodynamics @@ -23548,7 +22078,6 @@ D2- { specie { - nMoles 1; molWeight 4.02874; } thermodynamics @@ -23564,7 +22093,6 @@ ND2 { specie { - nMoles 1; molWeight 18.0349; } thermodynamics @@ -23580,7 +22108,6 @@ C3H4O2_AcrylAcid { specie { - nMoles 1; molWeight 72.0641; } thermodynamics @@ -23596,7 +22123,6 @@ CHFClBr { specie { - nMoles 1; molWeight 147.371; } thermodynamics @@ -23612,7 +22138,6 @@ AlCl { specie { - nMoles 1; molWeight 62.4345; } thermodynamics @@ -23628,7 +22153,6 @@ C3H6O__OXETANE { specie { - nMoles 1; molWeight 58.0807; } thermodynamics @@ -23644,7 +22168,6 @@ PO- { specie { - nMoles 1; molWeight 46.9737; } thermodynamics @@ -23660,7 +22183,6 @@ C4F2 { specie { - nMoles 1; molWeight 86.0414; } thermodynamics @@ -23676,7 +22198,6 @@ I2_gas { specie { - nMoles 1; molWeight 253.809; } thermodynamics @@ -23692,7 +22213,6 @@ CH3C(CH3)2CH3 { specie { - nMoles 1; molWeight 72.1514; } thermodynamics @@ -23708,7 +22228,6 @@ GeCl2____triplet { specie { - nMoles 1; molWeight 143.496; } thermodynamics @@ -23724,7 +22243,6 @@ Cl2O7 { specie { - nMoles 1; molWeight 182.902; } thermodynamics @@ -23740,7 +22258,6 @@ BrBrO_Br-Br-O { specie { - nMoles 1; molWeight 175.801; } thermodynamics @@ -23756,7 +22273,6 @@ C8H7N__o-ToluoNitr { specie { - nMoles 1; molWeight 117.152; } thermodynamics @@ -23772,7 +22288,6 @@ ClNC_biradical { specie { - nMoles 1; molWeight 61.4709; } thermodynamics @@ -23788,7 +22303,6 @@ C10H__linear { specie { - nMoles 1; molWeight 121.119; } thermodynamics @@ -23804,7 +22318,6 @@ K2O2(g) { specie { - nMoles 1; molWeight 110.203; } thermodynamics @@ -23820,7 +22333,6 @@ NITRO-PENTANE { specie { - nMoles 1; molWeight 117.149; } thermodynamics @@ -23836,7 +22348,6 @@ Ar { specie { - nMoles 1; molWeight 39.948; } thermodynamics @@ -23852,7 +22363,6 @@ I- { specie { - nMoles 1; molWeight 126.905; } thermodynamics @@ -23868,7 +22378,6 @@ C4H9O2_tert-Buty { specie { - nMoles 1; molWeight 89.1151; } thermodynamics @@ -23884,7 +22393,6 @@ C24H18__1,3,5_TPB { specie { - nMoles 1; molWeight 306.411; } thermodynamics @@ -23900,7 +22408,6 @@ C { specie { - nMoles 1; molWeight 12.0112; } thermodynamics @@ -23916,7 +22423,6 @@ Na2O(a) { specie { - nMoles 1; molWeight 61.979; } thermodynamics @@ -23932,7 +22438,6 @@ FeCl2(L) { specie { - nMoles 1; molWeight 126.753; } thermodynamics @@ -23948,7 +22453,6 @@ Na2O(c) { specie { - nMoles 1; molWeight 61.979; } thermodynamics @@ -23964,7 +22468,6 @@ CF3-CHCl2__HF123 { specie { - nMoles 1; molWeight 152.931; } thermodynamics @@ -23980,7 +22483,6 @@ C5H5_cyPentadiene { specie { - nMoles 1; molWeight 65.0956; } thermodynamics @@ -23996,7 +22498,6 @@ MgCO3(cr) { specie { - nMoles 1; molWeight 84.3213; } thermodynamics @@ -24012,7 +22513,6 @@ C6H12O_Oxepane { specie { - nMoles 1; molWeight 100.162; } thermodynamics @@ -24028,7 +22528,6 @@ C6D6 { specie { - nMoles 1; molWeight 84.1515; } thermodynamics @@ -24044,7 +22543,6 @@ C2D2O_Ketene-D2 { specie { - nMoles 1; molWeight 44.0499; } thermodynamics @@ -24060,7 +22558,6 @@ Zn(cr) { specie { - nMoles 1; molWeight 65.37; } thermodynamics @@ -24076,7 +22573,6 @@ C3H7_i-propyl { specie { - nMoles 1; molWeight 43.0892; } thermodynamics @@ -24092,7 +22588,6 @@ AlOH { specie { - nMoles 1; molWeight 43.9889; } thermodynamics @@ -24108,7 +22603,6 @@ MgTiO3(L) { specie { - nMoles 1; molWeight 120.21; } thermodynamics @@ -24124,7 +22618,6 @@ H3PO { specie { - nMoles 1; molWeight 49.9971; } thermodynamics @@ -24140,7 +22633,6 @@ Pt-_Platinum_anion { specie { - nMoles 1; molWeight 195.091; } thermodynamics @@ -24156,7 +22648,6 @@ CH2BrI { specie { - nMoles 1; molWeight 220.832; } thermodynamics @@ -24172,7 +22663,6 @@ C6H11__1-ene-6-yl { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -24188,7 +22678,6 @@ SF5- { specie { - nMoles 1; molWeight 127.057; } thermodynamics @@ -24204,7 +22693,6 @@ C4H6O_2.5-DHFuran { specie { - nMoles 1; molWeight 70.0918; } thermodynamics @@ -24220,7 +22708,6 @@ C5H3+_CyPentTriene { specie { - nMoles 1; molWeight 63.0791; } thermodynamics @@ -24236,7 +22723,6 @@ Br2- { specie { - nMoles 1; molWeight 159.802; } thermodynamics @@ -24252,7 +22738,6 @@ Fe3O4(L)_Liquid { specie { - nMoles 1; molWeight 231.539; } thermodynamics @@ -24268,7 +22753,6 @@ C8H18,n-octane { specie { - nMoles 1; molWeight 114.233; } thermodynamics @@ -24284,7 +22768,6 @@ C12H6Cl4O2 { specie { - nMoles 1; molWeight 323.992; } thermodynamics @@ -24300,7 +22783,6 @@ CF2+ { specie { - nMoles 1; molWeight 50.0074; } thermodynamics @@ -24316,7 +22798,6 @@ N-C10H22_DECANE { specie { - nMoles 1; molWeight 142.287; } thermodynamics @@ -24332,7 +22813,6 @@ S(a) { specie { - nMoles 1; molWeight 32.064; } thermodynamics @@ -24348,7 +22828,6 @@ Mo { specie { - nMoles 1; molWeight 95.94; } thermodynamics @@ -24364,7 +22843,6 @@ C10H9_1-methylen { specie { - nMoles 1; molWeight 129.183; } thermodynamics @@ -24380,7 +22858,6 @@ HCN+ { specie { - nMoles 1; molWeight 27.0253; } thermodynamics @@ -24396,7 +22873,6 @@ C12H10_biphenyl { specie { - nMoles 1; molWeight 154.214; } thermodynamics @@ -24412,7 +22888,6 @@ NH4Cl(III) { specie { - nMoles 1; molWeight 53.4916; } thermodynamics @@ -24428,7 +22903,6 @@ SO2FCl { specie { - nMoles 1; molWeight 118.514; } thermodynamics @@ -24444,7 +22918,6 @@ CH3N2_cy(-CH2N=N*- { specie { - nMoles 1; molWeight 43.0485; } thermodynamics @@ -24460,7 +22933,6 @@ C3H5O__CH3C(O)CH2 { specie { - nMoles 1; molWeight 57.0727; } thermodynamics @@ -24476,7 +22948,6 @@ C(NO2)4 { specie { - nMoles 1; molWeight 196.033; } thermodynamics @@ -24492,7 +22963,6 @@ NH2NO2_NITRAMIDE { specie { - nMoles 1; molWeight 62.0281; } thermodynamics @@ -24508,7 +22978,6 @@ FO2+___F-O-O+ { specie { - nMoles 1; molWeight 50.9967; } thermodynamics @@ -24524,7 +22993,6 @@ HNCN_Cyanamide { specie { - nMoles 1; molWeight 41.0325; } thermodynamics @@ -24540,7 +23008,6 @@ C5H12O_2-Pentanol { specie { - nMoles 1; molWeight 88.1508; } thermodynamics @@ -24556,7 +23023,6 @@ ZrCl4________GAS { specie { - nMoles 1; molWeight 233.032; } thermodynamics @@ -24572,7 +23038,6 @@ C5H8_1,3_Pentadi { specie { - nMoles 1; molWeight 68.1195; } thermodynamics @@ -24588,7 +23053,6 @@ o-C6H4I_radical { specie { - nMoles 1; molWeight 203.003; } thermodynamics @@ -24604,7 +23068,6 @@ C10H22(L) { specie { - nMoles 1; molWeight 142.287; } thermodynamics @@ -24620,7 +23083,6 @@ C7H5(NO2)3_(TNT) { specie { - nMoles 1; molWeight 227.134; } thermodynamics @@ -24636,7 +23098,6 @@ C2H5Cl { specie { - nMoles 1; molWeight 64.5152; } thermodynamics @@ -24652,7 +23113,6 @@ CH3O__METHOXY_RAD { specie { - nMoles 1; molWeight 31.0345; } thermodynamics @@ -24668,7 +23128,6 @@ C20H12_Benzopyrene { specie { - nMoles 1; molWeight 252.319; } thermodynamics @@ -24684,7 +23143,6 @@ CH3C { specie { - nMoles 1; molWeight 27.0462; } thermodynamics @@ -24700,7 +23158,6 @@ CH2Cl { specie { - nMoles 1; molWeight 49.4801; } thermodynamics @@ -24716,7 +23173,6 @@ N2F4 { specie { - nMoles 1; molWeight 104.007; } thermodynamics @@ -24732,7 +23188,6 @@ C6H8__1,3-Cycloh { specie { - nMoles 1; molWeight 80.1307; } thermodynamics @@ -24748,7 +23203,6 @@ C6H3N3O7_Picricaci { specie { - nMoles 1; molWeight 229.107; } thermodynamics @@ -24764,7 +23218,6 @@ C20H40O2_methyna { specie { - nMoles 1; molWeight 312.541; } thermodynamics @@ -24780,7 +23233,6 @@ N3H+ { specie { - nMoles 1; molWeight 43.0275; } thermodynamics @@ -24796,7 +23248,6 @@ BH3 { specie { - nMoles 1; molWeight 13.8349; } thermodynamics @@ -24812,7 +23263,6 @@ CH2NO__H2C=N-O* { specie { - nMoles 1; molWeight 44.0332; } thermodynamics @@ -24828,7 +23278,6 @@ CI3 { specie { - nMoles 1; molWeight 392.724; } thermodynamics @@ -24844,7 +23293,6 @@ NCN { specie { - nMoles 1; molWeight 40.0246; } thermodynamics @@ -24860,7 +23308,6 @@ CHBr2 { specie { - nMoles 1; molWeight 172.821; } thermodynamics @@ -24876,7 +23323,6 @@ CHO2-_Formyloxy { specie { - nMoles 1; molWeight 45.0185; } thermodynamics @@ -24892,7 +23338,6 @@ CH3-_anion { specie { - nMoles 1; molWeight 15.0356; } thermodynamics @@ -24908,7 +23353,6 @@ MgAl2O4(L) { specie { - nMoles 1; molWeight 142.273; } thermodynamics @@ -24924,7 +23368,6 @@ C20H12_Perylene { specie { - nMoles 1; molWeight 252.319; } thermodynamics @@ -24940,7 +23383,6 @@ HDO2 { specie { - nMoles 1; molWeight 35.0209; } thermodynamics @@ -24956,7 +23398,6 @@ CH5N3_guanidin { specie { - nMoles 1; molWeight 59.0711; } thermodynamics @@ -24972,7 +23413,6 @@ C6H9_Cy_C5H7-4CH2 { specie { - nMoles 1; molWeight 81.1386; } thermodynamics @@ -24988,7 +23428,6 @@ C12H24O2_n-acid { specie { - nMoles 1; molWeight 200.324; } thermodynamics @@ -25004,7 +23443,6 @@ C6H9_Cy_C5H6-CH3 { specie { - nMoles 1; molWeight 81.1386; } thermodynamics @@ -25020,7 +23458,6 @@ CrO2 { specie { - nMoles 1; molWeight 83.9948; } thermodynamics @@ -25036,7 +23473,6 @@ C7H14,1-heptene { specie { - nMoles 1; molWeight 98.1896; } thermodynamics @@ -25052,7 +23488,6 @@ MUSTARD_S(CH2CH2 { specie { - nMoles 1; molWeight 159.078; } thermodynamics @@ -25068,7 +23503,6 @@ C6H11_3-ene-6yl { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -25084,7 +23518,6 @@ C12H9,o-bipheny { specie { - nMoles 1; molWeight 153.206; } thermodynamics @@ -25100,7 +23533,6 @@ ClF { specie { - nMoles 1; molWeight 54.4514; } thermodynamics @@ -25116,7 +23548,6 @@ D+ { specie { - nMoles 1; molWeight 2.01356; } thermodynamics @@ -25132,7 +23563,6 @@ HOCl+_Hypochloro { specie { - nMoles 1; molWeight 52.4598; } thermodynamics @@ -25148,7 +23578,6 @@ N2O+ { specie { - nMoles 1; molWeight 44.0123; } thermodynamics @@ -25164,7 +23593,6 @@ ClCN { specie { - nMoles 1; molWeight 61.4709; } thermodynamics @@ -25180,7 +23608,6 @@ SO2 { specie { - nMoles 1; molWeight 64.0628; } thermodynamics @@ -25196,7 +23623,6 @@ ClC3H4 { specie { - nMoles 1; molWeight 75.5183; } thermodynamics @@ -25212,7 +23638,6 @@ C14H9_3-Phenantr { specie { - nMoles 1; molWeight 177.228; } thermodynamics @@ -25228,7 +23653,6 @@ BiI { specie { - nMoles 1; molWeight 335.884; } thermodynamics @@ -25244,7 +23668,6 @@ C6H6_3,4-Dimethy { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -25260,7 +23683,6 @@ CBr2O { specie { - nMoles 1; molWeight 187.812; } thermodynamics @@ -25276,7 +23698,6 @@ CH_quartet { specie { - nMoles 1; molWeight 13.0191; } thermodynamics @@ -25292,7 +23713,6 @@ C7H7_Quadricy_Ap. { specie { - nMoles 1; molWeight 91.1338; } thermodynamics @@ -25308,7 +23728,6 @@ C7H16_NeoHeptane { specie { - nMoles 1; molWeight 100.206; } thermodynamics @@ -25324,7 +23743,6 @@ C3H3I_HCC-CH2I { specie { - nMoles 1; molWeight 165.962; } thermodynamics @@ -25340,7 +23758,6 @@ C6H6___Benzvalen { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -25356,7 +23773,6 @@ C6H8_DIHYDROBENZVA { specie { - nMoles 1; molWeight 80.1307; } thermodynamics @@ -25372,7 +23788,6 @@ C3F___Radical { specie { - nMoles 1; molWeight 55.0319; } thermodynamics @@ -25388,7 +23803,6 @@ C2HF3__CHF=CF2 { specie { - nMoles 1; molWeight 82.0255; } thermodynamics @@ -25404,7 +23818,6 @@ D2+ { specie { - nMoles 1; molWeight 4.02766; } thermodynamics @@ -25420,7 +23833,6 @@ FCO__(CFObyCOF) { specie { - nMoles 1; molWeight 47.0089; } thermodynamics @@ -25436,7 +23848,6 @@ HBr+_Hydrogen_Br { specie { - nMoles 1; molWeight 80.9083; } thermodynamics @@ -25452,7 +23863,6 @@ NOF { specie { - nMoles 1; molWeight 49.0045; } thermodynamics @@ -25468,7 +23878,6 @@ S- { specie { - nMoles 1; molWeight 32.0645; } thermodynamics @@ -25484,7 +23893,6 @@ C5H3_1,4DIYNE3YL { specie { - nMoles 1; molWeight 63.0797; } thermodynamics @@ -25500,7 +23908,6 @@ C2HF5 { specie { - nMoles 1; molWeight 120.022; } thermodynamics @@ -25516,7 +23923,6 @@ CFO- { specie { - nMoles 1; molWeight 47.0095; } thermodynamics @@ -25532,7 +23938,6 @@ C20H38O2_Gondoicac { specie { - nMoles 1; molWeight 310.525; } thermodynamics @@ -25548,7 +23953,6 @@ PbI { specie { - nMoles 1; molWeight 334.094; } thermodynamics @@ -25564,7 +23968,6 @@ DO2 { specie { - nMoles 1; molWeight 34.0129; } thermodynamics @@ -25580,7 +23983,6 @@ CH3I+_cation { specie { - nMoles 1; molWeight 141.939; } thermodynamics @@ -25596,7 +23998,6 @@ B2O2 { specie { - nMoles 1; molWeight 53.6208; } thermodynamics @@ -25612,7 +24013,6 @@ C2H5NO2_NitroEth { specie { - nMoles 1; molWeight 75.0677; } thermodynamics @@ -25628,7 +24028,6 @@ DBr { specie { - nMoles 1; molWeight 81.915; } thermodynamics @@ -25644,7 +24043,6 @@ SnH3 { specie { - nMoles 1; molWeight 121.714; } thermodynamics @@ -25660,7 +24058,6 @@ NO- { specie { - nMoles 1; molWeight 30.0066; } thermodynamics @@ -25676,7 +24073,6 @@ C3H3Cl_Chloro-Al { specie { - nMoles 1; molWeight 74.5104; } thermodynamics @@ -25692,7 +24088,6 @@ BFCl { specie { - nMoles 1; molWeight 65.2624; } thermodynamics @@ -25708,7 +24103,6 @@ C8H6__C6H5CCH { specie { - nMoles 1; molWeight 102.137; } thermodynamics @@ -25724,7 +24118,6 @@ H2CN2_cy(-CH2N=N-) { specie { - nMoles 1; molWeight 42.0405; } thermodynamics @@ -25740,7 +24133,6 @@ CHD3_Methane-D3 { specie { - nMoles 1; molWeight 19.0614; } thermodynamics @@ -25756,7 +24148,6 @@ H3PO4 { specie { - nMoles 1; molWeight 97.9953; } thermodynamics @@ -25772,7 +24163,6 @@ C2HO__HCC=O+ { specie { - nMoles 1; molWeight 41.0291; } thermodynamics @@ -25788,7 +24178,6 @@ C6H5OOH_hydroper { specie { - nMoles 1; molWeight 110.114; } thermodynamics @@ -25804,7 +24193,6 @@ C7H8__CyTriEne { specie { - nMoles 1; molWeight 92.1418; } thermodynamics @@ -25820,7 +24208,6 @@ C16H9_4-Pyrenyl { specie { - nMoles 1; molWeight 201.25; } thermodynamics @@ -25836,7 +24223,6 @@ C5H5N__1-Cyano { specie { - nMoles 1; molWeight 79.1023; } thermodynamics @@ -25852,7 +24238,6 @@ CH3CN_Methyl-Cya { specie { - nMoles 1; molWeight 41.0529; } thermodynamics @@ -25868,7 +24253,6 @@ T-C4H10O_T-Butan { specie { - nMoles 1; molWeight 74.1237; } thermodynamics @@ -25884,7 +24268,6 @@ C2H6 { specie { - nMoles 1; molWeight 30.0701; } thermodynamics @@ -25900,7 +24283,6 @@ C12H22O11_Cellobi { specie { - nMoles 1; molWeight 342.303; } thermodynamics @@ -25916,7 +24298,6 @@ s-1-2-C10H10 { specie { - nMoles 1; molWeight 130.191; } thermodynamics @@ -25932,7 +24313,6 @@ NOF3 { specie { - nMoles 1; molWeight 87.0013; } thermodynamics @@ -25948,7 +24328,6 @@ C2H4F_beta-Fluor { specie { - nMoles 1; molWeight 47.0526; } thermodynamics @@ -25964,7 +24343,6 @@ Al(OH)3 { specie { - nMoles 1; molWeight 78.0036; } thermodynamics @@ -25980,7 +24358,6 @@ NCCH2OH { specie { - nMoles 1; molWeight 57.0523; } thermodynamics @@ -25996,7 +24373,6 @@ C9H10_Methyl_styre { specie { - nMoles 1; molWeight 118.18; } thermodynamics @@ -26012,7 +24388,6 @@ H6F6 { specie { - nMoles 1; molWeight 120.038; } thermodynamics @@ -26028,7 +24403,6 @@ GeCl2____singlet { specie { - nMoles 1; molWeight 143.496; } thermodynamics @@ -26044,7 +24418,6 @@ C3H6_cyclo- { specie { - nMoles 1; molWeight 42.0813; } thermodynamics @@ -26060,7 +24433,6 @@ AlO+ { specie { - nMoles 1; molWeight 42.9804; } thermodynamics @@ -26076,7 +24448,6 @@ SF2 { specie { - nMoles 1; molWeight 70.0608; } thermodynamics @@ -26092,7 +24463,6 @@ NO2 { specie { - nMoles 1; molWeight 46.0055; } thermodynamics @@ -26108,7 +24478,6 @@ C3H5N_Propionitryl { specie { - nMoles 1; molWeight 55.08; } thermodynamics @@ -26124,7 +24493,6 @@ BBr3 { specie { - nMoles 1; molWeight 250.514; } thermodynamics @@ -26140,7 +24508,6 @@ C14H28O2_Ethyl_D { specie { - nMoles 1; molWeight 228.378; } thermodynamics @@ -26156,7 +24523,6 @@ NaO2(cr) { specie { - nMoles 1; molWeight 54.9886; } thermodynamics @@ -26172,7 +24538,6 @@ HOF { specie { - nMoles 1; molWeight 36.0058; } thermodynamics @@ -26188,7 +24553,6 @@ C4H8O_DiMethylOxyr { specie { - nMoles 1; molWeight 72.1078; } thermodynamics @@ -26204,7 +24568,6 @@ C5H9_1Buten3M3yl { specie { - nMoles 1; molWeight 69.1275; } thermodynamics @@ -26220,7 +24583,6 @@ C(NO)_cy { specie { - nMoles 1; molWeight 42.0173; } thermodynamics @@ -26236,7 +24598,6 @@ C10D8__Naphthale { specie { - nMoles 1; molWeight 136.224; } thermodynamics @@ -26252,7 +24613,6 @@ H2O(L) { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -26268,7 +24628,6 @@ CBr2ClF___11B3 { specie { - nMoles 1; molWeight 226.264; } thermodynamics @@ -26284,7 +24643,6 @@ CH3N2*___CH3-N=N { specie { - nMoles 1; molWeight 43.0485; } thermodynamics @@ -26300,7 +24658,6 @@ C2N___N(CC)_cy { specie { - nMoles 1; molWeight 38.029; } thermodynamics @@ -26316,7 +24673,6 @@ C3H2N_CH=CHCN { specie { - nMoles 1; molWeight 52.0561; } thermodynamics @@ -26332,7 +24688,6 @@ CH3O2_Methyl_Per { specie { - nMoles 1; molWeight 47.0339; } thermodynamics @@ -26348,7 +24703,6 @@ C14H28_Cy4Decane { specie { - nMoles 1; molWeight 196.379; } thermodynamics @@ -26364,7 +24718,6 @@ CH2OOCH3 { specie { - nMoles 1; molWeight 62.0689; } thermodynamics @@ -26380,7 +24733,6 @@ HNOH+_trans_&_Eq { specie { - nMoles 1; molWeight 32.0215; } thermodynamics @@ -26396,7 +24748,6 @@ Bi(CH3)3 { specie { - nMoles 1; molWeight 254.085; } thermodynamics @@ -26412,7 +24763,6 @@ C23H46_1-Tricosen { specie { - nMoles 1; molWeight 322.623; } thermodynamics @@ -26428,7 +24778,6 @@ C3H2(3)_*HC=C=CH* { specie { - nMoles 1; molWeight 38.0494; } thermodynamics @@ -26444,7 +24793,6 @@ FC2H4OH__ATcT_C { specie { - nMoles 1; molWeight 64.06; } thermodynamics @@ -26460,7 +24808,6 @@ CH3F+_cation { specie { - nMoles 1; molWeight 34.0329; } thermodynamics @@ -26476,7 +24823,6 @@ Ge- { specie { - nMoles 1; molWeight 72.5905; } thermodynamics @@ -26492,7 +24838,6 @@ C6H2Cl3OOH__Cy { specie { - nMoles 1; molWeight 213.449; } thermodynamics @@ -26508,7 +24853,6 @@ N2O3 { specie { - nMoles 1; molWeight 76.0116; } thermodynamics @@ -26524,7 +24868,6 @@ Cl { specie { - nMoles 1; molWeight 35.453; } thermodynamics @@ -26540,7 +24883,6 @@ Cl2C=C=CCl(O*) { specie { - nMoles 1; molWeight 158.392; } thermodynamics @@ -26556,7 +24898,6 @@ NO3- { specie { - nMoles 1; molWeight 62.0054; } thermodynamics @@ -26572,7 +24913,6 @@ CrO { specie { - nMoles 1; molWeight 67.9954; } thermodynamics @@ -26588,7 +24928,6 @@ AlCl3 { specie { - nMoles 1; molWeight 133.341; } thermodynamics @@ -26604,7 +24943,6 @@ C4H3_E-1yl_Radical { specie { - nMoles 1; molWeight 51.0685; } thermodynamics @@ -26620,7 +24958,6 @@ COCl2 { specie { - nMoles 1; molWeight 98.9166; } thermodynamics @@ -26636,7 +24973,6 @@ Pd(liq) { specie { - nMoles 1; molWeight 106.4; } thermodynamics @@ -26652,7 +24988,6 @@ C10H13_C5H7-C5H6* { specie { - nMoles 1; molWeight 133.215; } thermodynamics @@ -26668,7 +25003,6 @@ C10H19_1-decenyl { specie { - nMoles 1; molWeight 139.263; } thermodynamics @@ -26684,7 +25018,6 @@ C3H6O_Propionald { specie { - nMoles 1; molWeight 58.0807; } thermodynamics @@ -26700,7 +25033,6 @@ CH3N_Rad_Triplet { specie { - nMoles 1; molWeight 29.0418; } thermodynamics @@ -26716,7 +25048,6 @@ C5H4_1,4-DIYNE { specie { - nMoles 1; molWeight 64.0876; } thermodynamics @@ -26732,7 +25063,6 @@ F2O___F-O-F { specie { - nMoles 1; molWeight 53.9962; } thermodynamics @@ -26748,7 +25078,6 @@ C30H10_Half-Buck { specie { - nMoles 1; molWeight 370.414; } thermodynamics @@ -26764,7 +25093,6 @@ C3H3F3_CF3-CH=CH2 { specie { - nMoles 1; molWeight 96.0526; } thermodynamics @@ -26780,7 +25108,6 @@ FCN+___ATcT_C { specie { - nMoles 1; molWeight 45.0157; } thermodynamics @@ -26796,7 +25123,6 @@ C5H4O_Cy_CPD-ONE { specie { - nMoles 1; molWeight 80.087; } thermodynamics @@ -26812,7 +25138,6 @@ C10H7_C6H4*-CH=CCH { specie { - nMoles 1; molWeight 127.167; } thermodynamics @@ -26828,7 +25153,6 @@ BrO+ { specie { - nMoles 1; molWeight 95.8998; } thermodynamics @@ -26844,7 +25168,6 @@ C4H4S_Thiophene { specie { - nMoles 1; molWeight 84.1405; } thermodynamics @@ -26860,7 +25183,6 @@ PbBr2 { specie { - nMoles 1; molWeight 366.992; } thermodynamics @@ -26876,7 +25198,6 @@ H3+_TRIHYDROGEN { specie { - nMoles 1; molWeight 3.02337; } thermodynamics @@ -26892,7 +25213,6 @@ C10H20_2-decene- { specie { - nMoles 1; molWeight 140.271; } thermodynamics @@ -26908,7 +25228,6 @@ s-1,2-C2H4(NO2)2 { specie { - nMoles 1; molWeight 120.065; } thermodynamics @@ -26924,7 +25243,6 @@ PT+_Platinum_cati { specie { - nMoles 1; molWeight 195.089; } thermodynamics @@ -26940,7 +25258,6 @@ H2S { specie { - nMoles 1; molWeight 34.0799; } thermodynamics @@ -26956,7 +25273,6 @@ C3H5O__CH3CH2*CO { specie { - nMoles 1; molWeight 57.0727; } thermodynamics @@ -26972,7 +25288,6 @@ CH2OH_RADICAL { specie { - nMoles 1; molWeight 31.0345; } thermodynamics @@ -26988,7 +25303,6 @@ NiS2(L) { specie { - nMoles 1; molWeight 122.838; } thermodynamics @@ -27004,7 +25318,6 @@ Mg2SiO4(cr) { specie { - nMoles 1; molWeight 140.708; } thermodynamics @@ -27020,7 +25333,6 @@ N-C9H20_NONANE { specie { - nMoles 1; molWeight 128.26; } thermodynamics @@ -27036,7 +25348,6 @@ C2H2Cl3_1,1,1-Tr { specie { - nMoles 1; molWeight 132.397; } thermodynamics @@ -27052,7 +25363,6 @@ NiS(b) { specie { - nMoles 1; molWeight 90.774; } thermodynamics @@ -27068,7 +25378,6 @@ HO2+ { specie { - nMoles 1; molWeight 33.0062; } thermodynamics @@ -27084,7 +25393,6 @@ SO { specie { - nMoles 1; molWeight 48.0634; } thermodynamics @@ -27100,7 +25408,6 @@ CCl2 { specie { - nMoles 1; molWeight 82.9172; } thermodynamics @@ -27116,7 +25423,6 @@ BrC2H4OH__ATcT_C { specie { - nMoles 1; molWeight 124.962; } thermodynamics @@ -27132,7 +25438,6 @@ C8H9_DiMethylPh_R { specie { - nMoles 1; molWeight 105.161; } thermodynamics @@ -27148,7 +25453,6 @@ CH2O-__CH**-OH { specie { - nMoles 1; molWeight 30.027; } thermodynamics @@ -27164,7 +25468,6 @@ BiF { specie { - nMoles 1; molWeight 227.978; } thermodynamics @@ -27180,7 +25483,6 @@ CrN(S) { specie { - nMoles 1; molWeight 66.0027; } thermodynamics @@ -27196,7 +25498,6 @@ MgI2(L) { specie { - nMoles 1; molWeight 278.121; } thermodynamics @@ -27212,7 +25513,6 @@ s-1-C10H7-CH*-CH3 { specie { - nMoles 1; molWeight 155.221; } thermodynamics @@ -27228,7 +25528,6 @@ CuF2 { specie { - nMoles 1; molWeight 101.537; } thermodynamics @@ -27244,7 +25543,6 @@ CH3NO__O=CH-NH2 { specie { - nMoles 1; molWeight 45.0412; } thermodynamics @@ -27260,7 +25558,6 @@ C4H5__1,3-Butadi { specie { - nMoles 1; molWeight 53.0845; } thermodynamics @@ -27276,7 +25573,6 @@ MgCl2(L) { specie { - nMoles 1; molWeight 95.218; } thermodynamics @@ -27292,7 +25588,6 @@ C2H3- { specie { - nMoles 1; molWeight 27.0468; } thermodynamics @@ -27308,7 +25603,6 @@ CH3+ { specie { - nMoles 1; molWeight 15.0345; } thermodynamics @@ -27324,7 +25618,6 @@ AlBr3 { specie { - nMoles 1; molWeight 266.684; } thermodynamics @@ -27340,7 +25633,6 @@ C3H6O__CyC3H5-OH { specie { - nMoles 1; molWeight 58.0807; } thermodynamics @@ -27356,7 +25648,6 @@ C11H24O_1-undeca { specie { - nMoles 1; molWeight 172.313; } thermodynamics @@ -27372,7 +25663,6 @@ C16H31O2_palmita { specie { - nMoles 1; molWeight 255.424; } thermodynamics @@ -27388,7 +25678,6 @@ C6F14__FC_51-14 { specie { - nMoles 1; molWeight 338.044; } thermodynamics @@ -27404,7 +25693,6 @@ C12_linear_Triplet { specie { - nMoles 1; molWeight 144.134; } thermodynamics @@ -27420,7 +25708,6 @@ C22H46___docosane { specie { - nMoles 1; molWeight 310.612; } thermodynamics @@ -27436,7 +25723,6 @@ HPO { specie { - nMoles 1; molWeight 47.9812; } thermodynamics @@ -27452,7 +25738,6 @@ FeOCl(cr) { specie { - nMoles 1; molWeight 107.299; } thermodynamics @@ -27468,7 +25753,6 @@ C5_singlet { specie { - nMoles 1; molWeight 60.0558; } thermodynamics @@ -27484,7 +25768,6 @@ Cl2C=C=CH(O*) { specie { - nMoles 1; molWeight 123.947; } thermodynamics @@ -27500,7 +25783,6 @@ P2O3 { specie { - nMoles 1; molWeight 109.946; } thermodynamics @@ -27516,7 +25798,6 @@ C10H7_Naphtyl_rad { specie { - nMoles 1; molWeight 127.167; } thermodynamics @@ -27532,7 +25813,6 @@ CHF- { specie { - nMoles 1; molWeight 32.0181; } thermodynamics @@ -27548,7 +25828,6 @@ C10H21_2-decyl { specie { - nMoles 1; molWeight 141.279; } thermodynamics @@ -27564,7 +25843,6 @@ O3 { specie { - nMoles 1; molWeight 47.9982; } thermodynamics @@ -27580,7 +25858,6 @@ NOO { specie { - nMoles 1; molWeight 46.0055; } thermodynamics @@ -27596,7 +25873,6 @@ PO { specie { - nMoles 1; molWeight 46.9732; } thermodynamics @@ -27612,7 +25888,6 @@ BF3 { specie { - nMoles 1; molWeight 67.8062; } thermodynamics @@ -27628,7 +25903,6 @@ C3H8O3_Glycerol { specie { - nMoles 1; molWeight 92.0954; } thermodynamics @@ -27644,7 +25918,6 @@ T2O__(3H2O) { specie { - nMoles 1; molWeight 111.799; } thermodynamics @@ -27660,7 +25933,6 @@ o-C6H3I_Cy { specie { - nMoles 1; molWeight 201.995; } thermodynamics @@ -27676,7 +25948,6 @@ CH3NH2-_anion__H { specie { - nMoles 1; molWeight 31.0582; } thermodynamics @@ -27692,7 +25963,6 @@ CHF2 { specie { - nMoles 1; molWeight 51.0159; } thermodynamics @@ -27708,7 +25978,6 @@ SbH3 { specie { - nMoles 1; molWeight 124.774; } thermodynamics @@ -27724,7 +25993,6 @@ C19H38O2_Stearate { specie { - nMoles 1; molWeight 298.514; } thermodynamics @@ -27740,7 +26008,6 @@ Fe(CO)5(L) { specie { - nMoles 1; molWeight 195.9; } thermodynamics @@ -27756,7 +26023,6 @@ C5H6O__4H-Pyran { specie { - nMoles 1; molWeight 82.103; } thermodynamics @@ -27772,7 +26038,6 @@ CrO3 { specie { - nMoles 1; molWeight 99.9942; } thermodynamics @@ -27788,7 +26053,6 @@ BOCl2 { specie { - nMoles 1; molWeight 97.7164; } thermodynamics @@ -27804,7 +26068,6 @@ Fe2Cl4 { specie { - nMoles 1; molWeight 253.506; } thermodynamics @@ -27820,7 +26083,6 @@ C3H7_n-propyl { specie { - nMoles 1; molWeight 43.0892; } thermodynamics @@ -27836,7 +26098,6 @@ CH2D2_Methane-D2 { specie { - nMoles 1; molWeight 18.0553; } thermodynamics @@ -27852,7 +26113,6 @@ C7H12__Cy-heptene { specie { - nMoles 1; molWeight 96.1737; } thermodynamics @@ -27868,7 +26128,6 @@ FeS(c) { specie { - nMoles 1; molWeight 87.911; } thermodynamics @@ -27884,7 +26143,6 @@ CH_excited_B2Sig { specie { - nMoles 1; molWeight 13.0191; } thermodynamics @@ -27900,7 +26158,6 @@ C3H7I_2-IodoProp { specie { - nMoles 1; molWeight 169.994; } thermodynamics @@ -27916,7 +26173,6 @@ PD3_Phosphine-D3 { specie { - nMoles 1; molWeight 37.0161; } thermodynamics @@ -27932,7 +26188,6 @@ C14H9_2-Phenantr { specie { - nMoles 1; molWeight 177.228; } thermodynamics @@ -27948,7 +26203,6 @@ CH2-NH-CH3 { specie { - nMoles 1; molWeight 44.0768; } thermodynamics @@ -27964,7 +26218,6 @@ C4F10 { specie { - nMoles 1; molWeight 238.029; } thermodynamics @@ -27980,7 +26233,6 @@ C2H4ClF_1,1-Chlo { specie { - nMoles 1; molWeight 82.5056; } thermodynamics @@ -27996,7 +26248,6 @@ C18H29O2_Linolenat { specie { - nMoles 1; molWeight 277.431; } thermodynamics @@ -28012,7 +26263,6 @@ N2+ { specie { - nMoles 1; molWeight 28.0129; } thermodynamics @@ -28028,7 +26278,6 @@ He+ { specie { - nMoles 1; molWeight 4.00206; } thermodynamics @@ -28044,7 +26293,6 @@ C16H32O2_Palmitiac { specie { - nMoles 1; molWeight 256.432; } thermodynamics @@ -28060,7 +26308,6 @@ SO2F2 { specie { - nMoles 1; molWeight 102.06; } thermodynamics @@ -28076,7 +26323,6 @@ P4O10(cr) { specie { - nMoles 1; molWeight 283.889; } thermodynamics @@ -28092,7 +26338,6 @@ C2Cl6 { specie { - nMoles 1; molWeight 236.74; } thermodynamics @@ -28108,7 +26353,6 @@ C4H6Cl2_3,4-DiCl { specie { - nMoles 1; molWeight 124.998; } thermodynamics @@ -28124,7 +26368,6 @@ N2O+_NON+ { specie { - nMoles 1; molWeight 44.0123; } thermodynamics @@ -28140,7 +26383,6 @@ m-CHLOROPHENYL { specie { - nMoles 1; molWeight 111.552; } thermodynamics @@ -28156,7 +26398,6 @@ C2H5_ethyl_radic { specie { - nMoles 1; molWeight 29.0622; } thermodynamics @@ -28172,7 +26413,6 @@ C4H8O__CyButanol { specie { - nMoles 1; molWeight 72.1078; } thermodynamics @@ -28188,7 +26428,6 @@ C8H2_linear { specie { - nMoles 1; molWeight 98.1051; } thermodynamics @@ -28204,7 +26443,6 @@ C2F4__FC-1114 { specie { - nMoles 1; molWeight 100.016; } thermodynamics @@ -28220,7 +26458,6 @@ C2HClF2_cis { specie { - nMoles 1; molWeight 98.4801; } thermodynamics @@ -28236,7 +26473,6 @@ C18H36_1-Octadece { specie { - nMoles 1; molWeight 252.488; } thermodynamics @@ -28252,7 +26488,6 @@ MnO2(S) { specie { - nMoles 1; molWeight 86.9368; } thermodynamics @@ -28268,7 +26503,6 @@ C6H7__C5H5-1-CH2 { specie { - nMoles 1; molWeight 79.1227; } thermodynamics @@ -28284,7 +26518,6 @@ Cr(L) { specie { - nMoles 1; molWeight 51.996; } thermodynamics @@ -28300,7 +26533,6 @@ P4_tetrahedral { specie { - nMoles 1; molWeight 123.895; } thermodynamics @@ -28316,7 +26548,6 @@ ZrF4 { specie { - nMoles 1; molWeight 167.214; } thermodynamics @@ -28332,7 +26563,6 @@ CD2_Deutherometh { specie { - nMoles 1; molWeight 16.0393; } thermodynamics @@ -28348,7 +26578,6 @@ C2H2Cl2_1,1- { specie { - nMoles 1; molWeight 96.9442; } thermodynamics @@ -28364,7 +26593,6 @@ BFCl2 { specie { - nMoles 1; molWeight 100.715; } thermodynamics @@ -28380,7 +26608,6 @@ C6H9_a { specie { - nMoles 1; molWeight 81.1386; } thermodynamics @@ -28396,7 +26623,6 @@ CH2N2_Carbodiimi { specie { - nMoles 1; molWeight 42.0405; } thermodynamics @@ -28412,7 +26638,6 @@ CH3CHO_Acetaldehy { specie { - nMoles 1; molWeight 44.0536; } thermodynamics @@ -28428,7 +26653,6 @@ s-2,4-C6H4Cl2O_cis { specie { - nMoles 1; molWeight 163.004; } thermodynamics @@ -28444,7 +26668,6 @@ C7H14O2_Enanthic { specie { - nMoles 1; molWeight 130.188; } thermodynamics @@ -28460,7 +26683,6 @@ C6H13__2-Hexyl { specie { - nMoles 1; molWeight 85.1705; } thermodynamics @@ -28476,7 +26698,6 @@ s-1,3,5-C6H3Cl3 { specie { - nMoles 1; molWeight 181.45; } thermodynamics @@ -28492,7 +26713,6 @@ C3H2(1)_HCC-CH** { specie { - nMoles 1; molWeight 38.0494; } thermodynamics @@ -28508,7 +26728,6 @@ HAlO { specie { - nMoles 1; molWeight 43.9889; } thermodynamics @@ -28524,7 +26743,6 @@ C6H11_1ene2M-yl { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -28540,7 +26758,6 @@ H2N2O__H2NN=O { specie { - nMoles 1; molWeight 46.0287; } thermodynamics @@ -28556,7 +26773,6 @@ S5 { specie { - nMoles 1; molWeight 160.32; } thermodynamics @@ -28572,7 +26788,6 @@ CH6N+__CH3NH3+ { specie { - nMoles 1; molWeight 32.0651; } thermodynamics @@ -28588,7 +26803,6 @@ C7H4__CH(CCH)3 { specie { - nMoles 1; molWeight 88.1099; } thermodynamics @@ -28604,7 +26818,6 @@ CrCl6 { specie { - nMoles 1; molWeight 264.714; } thermodynamics @@ -28620,7 +26833,6 @@ PH2+ { specie { - nMoles 1; molWeight 32.9897; } thermodynamics @@ -28636,7 +26848,6 @@ C5H6O_2-Me_Furan { specie { - nMoles 1; molWeight 82.103; } thermodynamics @@ -28652,7 +26863,6 @@ CH2ClBr { specie { - nMoles 1; molWeight 129.381; } thermodynamics @@ -28668,7 +26878,6 @@ CT4__methane_T-4 { specie { - nMoles 1; molWeight 203.611; } thermodynamics @@ -28684,7 +26893,6 @@ C3H8O2_C3H7O-OH { specie { - nMoles 1; molWeight 76.096; } thermodynamics @@ -28700,7 +26908,6 @@ SB(CH3)3 { specie { - nMoles 1; molWeight 166.855; } thermodynamics @@ -28716,7 +26923,6 @@ FeS2(S) { specie { - nMoles 1; molWeight 119.975; } thermodynamics @@ -28732,7 +26938,6 @@ C2O_(CCO) { specie { - nMoles 1; molWeight 40.0217; } thermodynamics @@ -28748,7 +26953,6 @@ C2H6N2_Azomethan { specie { - nMoles 1; molWeight 58.0835; } thermodynamics @@ -28764,7 +26968,6 @@ C6H7_1,3,5_Linear { specie { - nMoles 1; molWeight 79.1227; } thermodynamics @@ -28780,7 +26983,6 @@ HClO4 { specie { - nMoles 1; molWeight 100.459; } thermodynamics @@ -28796,7 +26998,6 @@ C2N+___C-CN { specie { - nMoles 1; molWeight 38.0285; } thermodynamics @@ -28812,7 +27013,6 @@ C6_linear_triplet { specie { - nMoles 1; molWeight 72.0669; } thermodynamics @@ -28828,7 +27028,6 @@ CH2DNO2 { specie { - nMoles 1; molWeight 62.0467; } thermodynamics @@ -28844,7 +27043,6 @@ Pb+ { specie { - nMoles 1; molWeight 207.189; } thermodynamics @@ -28860,7 +27058,6 @@ N2- { specie { - nMoles 1; molWeight 28.0139; } thermodynamics @@ -28876,7 +27073,6 @@ BCl2+ { specie { - nMoles 1; molWeight 81.7165; } thermodynamics @@ -28892,7 +27088,6 @@ BHF2 { specie { - nMoles 1; molWeight 49.8158; } thermodynamics @@ -28908,7 +27103,6 @@ C6H7O5(NO2)3__NC { specie { - nMoles 1; molWeight 297.136; } thermodynamics @@ -28924,7 +27118,6 @@ HC(OO)_cyclo_rad { specie { - nMoles 1; molWeight 45.0179; } thermodynamics @@ -28940,7 +27133,6 @@ CH4N2_cyc(-CH2-N { specie { - nMoles 1; molWeight 44.0564; } thermodynamics @@ -28956,7 +27148,6 @@ K20(g) { specie { - nMoles 1; molWeight 94.2034; } thermodynamics @@ -28972,7 +27163,6 @@ CH2Br2 { specie { - nMoles 1; molWeight 173.829; } thermodynamics @@ -28988,7 +27178,6 @@ ClONO2_Clnitrat { specie { - nMoles 1; molWeight 97.4579; } thermodynamics @@ -29004,7 +27193,6 @@ NH4NO3_gas { specie { - nMoles 1; molWeight 80.0435; } thermodynamics @@ -29020,7 +27208,6 @@ Cl+ { specie { - nMoles 1; molWeight 35.4525; } thermodynamics @@ -29036,7 +27223,6 @@ CF2 { specie { - nMoles 1; molWeight 50.008; } thermodynamics @@ -29052,7 +27238,6 @@ CH2N-_H*C=NH_trans { specie { - nMoles 1; molWeight 28.0343; } thermodynamics @@ -29068,7 +27253,6 @@ C4H9O_N-Butoxy_R { specie { - nMoles 1; molWeight 73.1157; } thermodynamics @@ -29084,7 +27268,6 @@ s-*CH2ONO2 { specie { - nMoles 1; molWeight 76.032; } thermodynamics @@ -29100,7 +27283,6 @@ NH2O__RADICAL { specie { - nMoles 1; molWeight 32.022; } thermodynamics @@ -29116,7 +27298,6 @@ F2O+__FOF+ { specie { - nMoles 1; molWeight 53.9957; } thermodynamics @@ -29132,7 +27313,6 @@ AlF2- { specie { - nMoles 1; molWeight 64.9788; } thermodynamics @@ -29148,7 +27328,6 @@ O4+_cation { specie { - nMoles 1; molWeight 63.9971; } thermodynamics @@ -29164,7 +27343,6 @@ Na2O2(b) { specie { - nMoles 1; molWeight 77.9784; } thermodynamics @@ -29180,7 +27358,6 @@ Ag+ { specie { - nMoles 1; molWeight 107.869; } thermodynamics @@ -29196,7 +27373,6 @@ C6H14(L)_n-hexa { specie { - nMoles 1; molWeight 86.1785; } thermodynamics @@ -29212,7 +27388,6 @@ C18H38_n-Octadeca { specie { - nMoles 1; molWeight 254.504; } thermodynamics @@ -29228,7 +27403,6 @@ C10H4Cl4_2,3,6,7 { specie { - nMoles 1; molWeight 265.955; } thermodynamics @@ -29244,7 +27418,6 @@ C2H3O2_COOCH3 { specie { - nMoles 1; molWeight 59.045; } thermodynamics @@ -29260,7 +27433,6 @@ C2H5NH2__Et-amin { specie { - nMoles 1; molWeight 45.0848; } thermodynamics @@ -29276,7 +27448,6 @@ C6H5Br+__Cation { specie { - nMoles 1; molWeight 157.007; } thermodynamics @@ -29292,7 +27463,6 @@ C6H4__Pentaene { specie { - nMoles 1; molWeight 76.0988; } thermodynamics @@ -29308,7 +27478,6 @@ C10H8O__Naphtol { specie { - nMoles 1; molWeight 144.175; } thermodynamics @@ -29324,7 +27493,6 @@ AlH3 { specie { - nMoles 1; molWeight 30.0054; } thermodynamics @@ -29340,7 +27508,6 @@ ZrN { specie { - nMoles 1; molWeight 105.227; } thermodynamics @@ -29356,7 +27523,6 @@ C3HBr3_BromoAllene { specie { - nMoles 1; molWeight 276.744; } thermodynamics @@ -29372,7 +27538,6 @@ s-1,2,3,5-C6H2Cl4 { specie { - nMoles 1; molWeight 215.895; } thermodynamics @@ -29388,7 +27553,6 @@ CCl2F2_FREON-12 { specie { - nMoles 1; molWeight 120.914; } thermodynamics @@ -29404,7 +27568,6 @@ CH2=S { specie { - nMoles 1; molWeight 46.0911; } thermodynamics @@ -29420,7 +27583,6 @@ C5H12,i-pentane { specie { - nMoles 1; molWeight 72.1514; } thermodynamics @@ -29436,7 +27598,6 @@ C2H3O2_HOCH2C=O { specie { - nMoles 1; molWeight 59.045; } thermodynamics @@ -29452,7 +27613,6 @@ C5H6N2_Cyclo_2-A { specie { - nMoles 1; molWeight 94.117; } thermodynamics @@ -29468,7 +27628,6 @@ MgH { specie { - nMoles 1; molWeight 25.32; } thermodynamics @@ -29484,7 +27643,6 @@ C4H7O_CH3CH2CH2CO { specie { - nMoles 1; molWeight 71.0998; } thermodynamics @@ -29500,7 +27658,6 @@ C8H16_CyOctane { specie { - nMoles 1; molWeight 112.217; } thermodynamics @@ -29516,7 +27673,6 @@ NF2 { specie { - nMoles 1; molWeight 52.0035; } thermodynamics @@ -29532,7 +27688,6 @@ C17H36_HeptaDecan { specie { - nMoles 1; molWeight 240.476; } thermodynamics @@ -29548,7 +27703,6 @@ HNOH+_cis { specie { - nMoles 1; molWeight 32.0215; } thermodynamics @@ -29564,7 +27718,6 @@ N- { specie { - nMoles 1; molWeight 14.0072; } thermodynamics @@ -29580,7 +27733,6 @@ Ag- { specie { - nMoles 1; molWeight 107.871; } thermodynamics @@ -29596,7 +27748,6 @@ C7H7_Benzyl_rad { specie { - nMoles 1; molWeight 91.1338; } thermodynamics @@ -29612,7 +27763,6 @@ CrO3- { specie { - nMoles 1; molWeight 99.9947; } thermodynamics @@ -29628,7 +27778,6 @@ C3Br4_PerBrAllene { specie { - nMoles 1; molWeight 355.637; } thermodynamics @@ -29644,7 +27793,6 @@ m-C6H4I2 { specie { - nMoles 1; molWeight 329.908; } thermodynamics @@ -29660,7 +27808,6 @@ C5H3_CycloPentat { specie { - nMoles 1; molWeight 63.0797; } thermodynamics @@ -29676,7 +27823,6 @@ CNH2+_triradical { specie { - nMoles 1; molWeight 28.0332; } thermodynamics @@ -29692,7 +27838,6 @@ CH3S_Radical { specie { - nMoles 1; molWeight 47.0991; } thermodynamics @@ -29708,7 +27853,6 @@ CHFCl2___FC-21 { specie { - nMoles 1; molWeight 102.924; } thermodynamics @@ -29724,7 +27868,6 @@ C4H9O_DiEthyl_Beta { specie { - nMoles 1; molWeight 73.1157; } thermodynamics @@ -29740,7 +27883,6 @@ Rn+ { specie { - nMoles 1; molWeight 221.999; } thermodynamics @@ -29756,7 +27898,6 @@ ICN { specie { - nMoles 1; molWeight 152.922; } thermodynamics @@ -29772,7 +27913,6 @@ C8H9_C6H5CH2CH2* { specie { - nMoles 1; molWeight 105.161; } thermodynamics @@ -29788,7 +27928,6 @@ C2H4F_alfa-Fluor { specie { - nMoles 1; molWeight 47.0526; } thermodynamics @@ -29804,7 +27943,6 @@ H2NC=O__H2N-C*=O { specie { - nMoles 1; molWeight 44.0332; } thermodynamics @@ -29820,7 +27958,6 @@ MgN { specie { - nMoles 1; molWeight 38.3187; } thermodynamics @@ -29836,7 +27973,6 @@ NCCHO { specie { - nMoles 1; molWeight 55.0364; } thermodynamics @@ -29852,7 +27988,6 @@ C2_singlet { specie { - nMoles 1; molWeight 24.0223; } thermodynamics @@ -29868,7 +28003,6 @@ OT_Tritium_Hydro { specie { - nMoles 1; molWeight 63.8994; } thermodynamics @@ -29884,7 +28018,6 @@ Si3N4(cr) { specie { - nMoles 1; molWeight 140.285; } thermodynamics @@ -29900,7 +28033,6 @@ C6H4Cl2_o-Clbenzen { specie { - nMoles 1; molWeight 147.005; } thermodynamics @@ -29916,7 +28048,6 @@ Cu(L) { specie { - nMoles 1; molWeight 63.54; } thermodynamics @@ -29932,7 +28063,6 @@ C6H5_phenyl_radi { specie { - nMoles 1; molWeight 77.1068; } thermodynamics @@ -29948,7 +28078,6 @@ C3H4N2__Imidogen { specie { - nMoles 1; molWeight 68.0787; } thermodynamics @@ -29964,7 +28093,6 @@ PbBr { specie { - nMoles 1; molWeight 287.091; } thermodynamics @@ -29980,7 +28108,6 @@ CuF { specie { - nMoles 1; molWeight 82.5384; } thermodynamics @@ -29996,7 +28123,6 @@ SF4 { specie { - nMoles 1; molWeight 108.058; } thermodynamics @@ -30012,7 +28138,6 @@ HOBr+___ATcT_C { specie { - nMoles 1; molWeight 96.9077; } thermodynamics @@ -30028,7 +28153,6 @@ H4C3_PROPYNE { specie { - nMoles 1; molWeight 40.0653; } thermodynamics @@ -30044,7 +28168,6 @@ C4H9_n-butyl { specie { - nMoles 1; molWeight 57.1163; } thermodynamics @@ -30060,7 +28183,6 @@ C5H8O2_2-Pentenoic { specie { - nMoles 1; molWeight 100.118; } thermodynamics @@ -30076,7 +28198,6 @@ O-C12D9_Biphenyl { specie { - nMoles 1; molWeight 162.261; } thermodynamics @@ -30092,7 +28213,6 @@ C4__singlet { specie { - nMoles 1; molWeight 48.0446; } thermodynamics @@ -30108,7 +28228,6 @@ C4H8O_EthylOxyran { specie { - nMoles 1; molWeight 72.1078; } thermodynamics @@ -30124,7 +28243,6 @@ BI3 { specie { - nMoles 1; molWeight 391.524; } thermodynamics @@ -30140,7 +28258,6 @@ C6H5ClO__2,4-cyc { specie { - nMoles 1; molWeight 128.559; } thermodynamics @@ -30156,7 +28273,6 @@ N2F2 { specie { - nMoles 1; molWeight 66.0102; } thermodynamics @@ -30172,7 +28288,6 @@ C8H6__Pentalene { specie { - nMoles 1; molWeight 102.137; } thermodynamics @@ -30188,7 +28303,6 @@ C2H2Br2_trans { specie { - nMoles 1; molWeight 185.84; } thermodynamics @@ -30204,7 +28318,6 @@ SiCl2 { specie { - nMoles 1; molWeight 98.992; } thermodynamics @@ -30220,7 +28333,6 @@ C5H10__2MB-2-ene { specie { - nMoles 1; molWeight 70.1355; } thermodynamics @@ -30236,7 +28348,6 @@ N-DODECANE { specie { - nMoles 1; molWeight 170.341; } thermodynamics @@ -30252,7 +28363,6 @@ HCCN_Triplet { specie { - nMoles 1; molWeight 39.037; } thermodynamics @@ -30268,7 +28378,6 @@ S2F2__(S=SF2) { specie { - nMoles 1; molWeight 102.125; } thermodynamics @@ -30284,7 +28393,6 @@ C4H4O2_1,4-Dioxin { specie { - nMoles 1; molWeight 84.0753; } thermodynamics @@ -30300,7 +28408,6 @@ Cr2O3(I) { specie { - nMoles 1; molWeight 151.99; } thermodynamics @@ -30316,7 +28423,6 @@ OS(g)__Osmium { specie { - nMoles 1; molWeight 190.2; } thermodynamics @@ -30332,7 +28438,6 @@ C4H10N2_1,4-PIPE { specie { - nMoles 1; molWeight 86.1377; } thermodynamics @@ -30348,7 +28453,6 @@ C3H7O_Propoxy_rad { specie { - nMoles 1; molWeight 59.0886; } thermodynamics @@ -30364,7 +28468,6 @@ C3H5NH2_Cyclopro { specie { - nMoles 1; molWeight 57.0959; } thermodynamics @@ -30380,7 +28483,6 @@ ClCN+___ATcT_C { specie { - nMoles 1; molWeight 61.4703; } thermodynamics @@ -30396,7 +28498,6 @@ C6H11__2-ene-6-yl { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -30412,7 +28513,6 @@ WC(cr) { specie { - nMoles 1; molWeight 195.861; } thermodynamics @@ -30428,7 +28528,6 @@ C4F8_CY { specie { - nMoles 1; molWeight 200.032; } thermodynamics @@ -30444,7 +28543,6 @@ CHCl3_Chloroform { specie { - nMoles 1; molWeight 119.378; } thermodynamics @@ -30460,7 +28558,6 @@ C5H5_1yne3ene5yl { specie { - nMoles 1; molWeight 65.0956; } thermodynamics @@ -30476,7 +28573,6 @@ H3PO3__[P(OH)3] { specie { - nMoles 1; molWeight 81.9959; } thermodynamics @@ -30492,7 +28588,6 @@ ZnSO4(b) { specie { - nMoles 1; molWeight 161.432; } thermodynamics @@ -30508,7 +28603,6 @@ CH3CO_ACETYL_RAD { specie { - nMoles 1; molWeight 43.0456; } thermodynamics @@ -30524,7 +28618,6 @@ N2H2_Isodiazene { specie { - nMoles 1; molWeight 30.0293; } thermodynamics @@ -30540,7 +28633,6 @@ HSO3__HO-SO2 { specie { - nMoles 1; molWeight 81.0702; } thermodynamics @@ -30556,7 +28648,6 @@ NOO+___cation { specie { - nMoles 1; molWeight 46.005; } thermodynamics @@ -30572,7 +28663,6 @@ CH3-NH-NH2 { specie { - nMoles 1; molWeight 46.0724; } thermodynamics @@ -30588,7 +28678,6 @@ SCl { specie { - nMoles 1; molWeight 67.517; } thermodynamics @@ -30604,7 +28693,6 @@ H5F5 { specie { - nMoles 1; molWeight 100.032; } thermodynamics @@ -30620,7 +28708,6 @@ CH2O2+__CH2(OO)+ { specie { - nMoles 1; molWeight 46.0253; } thermodynamics @@ -30636,7 +28723,6 @@ F2O2+ { specie { - nMoles 1; molWeight 69.9951; } thermodynamics @@ -30652,7 +28738,6 @@ C3Cl3_123Cy-Radic { specie { - nMoles 1; molWeight 142.392; } thermodynamics @@ -30668,7 +28753,6 @@ N2H4+__Hydrazine { specie { - nMoles 1; molWeight 32.0447; } thermodynamics @@ -30684,7 +28768,6 @@ Mg2TiO4(cr) { specie { - nMoles 1; molWeight 160.522; } thermodynamics @@ -30700,7 +28783,6 @@ C5H12O2_n-Pentyl { specie { - nMoles 1; molWeight 104.15; } thermodynamics @@ -30716,7 +28798,6 @@ C6H5+_phenyl_cat { specie { - nMoles 1; molWeight 77.1062; } thermodynamics @@ -30732,7 +28813,6 @@ CH3-NH-CH3 { specie { - nMoles 1; molWeight 45.0848; } thermodynamics @@ -30748,7 +28828,6 @@ Fe3C_(L)_Liquid { specie { - nMoles 1; molWeight 179.552; } thermodynamics @@ -30764,7 +28843,6 @@ C4H4N2O2_Uracil { specie { - nMoles 1; molWeight 112.089; } thermodynamics @@ -30780,7 +28858,6 @@ CT_Tritium_Carbon { specie { - nMoles 1; molWeight 15.0351; } thermodynamics @@ -30796,7 +28873,6 @@ Si2N2O(cr) { specie { - nMoles 1; molWeight 100.185; } thermodynamics @@ -30812,7 +28888,6 @@ Pb(L) { specie { - nMoles 1; molWeight 207.19; } thermodynamics @@ -30828,7 +28903,6 @@ C10H16_endo { specie { - nMoles 1; molWeight 136.239; } thermodynamics @@ -30844,7 +28918,6 @@ C6H11__2M2EN4YL { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -30860,7 +28933,6 @@ MgF2 { specie { - nMoles 1; molWeight 62.3088; } thermodynamics @@ -30876,7 +28948,6 @@ C2H5OH { specie { - nMoles 1; molWeight 46.0695; } thermodynamics @@ -30892,7 +28963,6 @@ C8H8___2,3,5,7_Cy { specie { - nMoles 1; molWeight 104.153; } thermodynamics @@ -30908,7 +28978,6 @@ SF3- { specie { - nMoles 1; molWeight 89.0597; } thermodynamics @@ -30924,7 +28993,6 @@ C17H32O2_Margarole { specie { - nMoles 1; molWeight 268.443; } thermodynamics @@ -30940,7 +29008,6 @@ C20H39O2_Archidi { specie { - nMoles 1; molWeight 311.533; } thermodynamics @@ -30956,7 +29023,6 @@ C(NN)__Cyclo { specie { - nMoles 1; molWeight 40.0246; } thermodynamics @@ -30972,7 +29038,6 @@ Br2+ { specie { - nMoles 1; molWeight 159.801; } thermodynamics @@ -30988,7 +29053,6 @@ Fe3C_(S)_Solid-B { specie { - nMoles 1; molWeight 179.552; } thermodynamics @@ -31004,7 +29068,6 @@ CH3-O-CH2-O-CH3 { specie { - nMoles 1; molWeight 76.096; } thermodynamics @@ -31020,7 +29083,6 @@ C6H6O__Oxepin { specie { - nMoles 1; molWeight 94.1141; } thermodynamics @@ -31036,7 +29098,6 @@ Cr2N(S) { specie { - nMoles 1; molWeight 117.999; } thermodynamics @@ -31052,7 +29113,6 @@ CH3F__FC-41_-236 { specie { - nMoles 1; molWeight 34.0335; } thermodynamics @@ -31068,7 +29128,6 @@ o-C6H5BrO_cis(Z) { specie { - nMoles 1; molWeight 173.007; } thermodynamics @@ -31084,7 +29143,6 @@ C3Br2_BrC*=C=CBr* { specie { - nMoles 1; molWeight 195.835; } thermodynamics @@ -31100,7 +29158,6 @@ C2N+___C-N=C { specie { - nMoles 1; molWeight 38.0285; } thermodynamics @@ -31116,7 +29173,6 @@ s-2-C4H10O_2-Butan { specie { - nMoles 1; molWeight 74.1237; } thermodynamics @@ -31132,7 +29188,6 @@ C17H34O2_n-Marga { specie { - nMoles 1; molWeight 270.459; } thermodynamics @@ -31148,7 +29203,6 @@ C2H2F2_equil { specie { - nMoles 1; molWeight 64.035; } thermodynamics @@ -31164,7 +29218,6 @@ C8H8__Styrene { specie { - nMoles 1; molWeight 104.153; } thermodynamics @@ -31180,7 +29233,6 @@ C12H2_linear { specie { - nMoles 1; molWeight 146.15; } thermodynamics @@ -31196,7 +29248,6 @@ CH4+__CATION { specie { - nMoles 1; molWeight 16.0425; } thermodynamics @@ -31212,7 +29263,6 @@ C24H17 { specie { - nMoles 1; molWeight 305.403; } thermodynamics @@ -31228,7 +29278,6 @@ BCl2 { specie { - nMoles 1; molWeight 81.717; } thermodynamics @@ -31244,7 +29293,6 @@ ClC*=C=CCl*_birad { specie { - nMoles 1; molWeight 106.939; } thermodynamics @@ -31260,7 +29308,6 @@ Ge2S2 { specie { - nMoles 1; molWeight 209.308; } thermodynamics @@ -31276,7 +29323,6 @@ C5H9_Cyclopentyl { specie { - nMoles 1; molWeight 69.1275; } thermodynamics @@ -31292,7 +29338,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -31308,7 +29353,6 @@ CH3CD3 { specie { - nMoles 1; molWeight 33.0885; } thermodynamics @@ -31324,7 +29368,6 @@ CI4 { specie { - nMoles 1; molWeight 519.629; } thermodynamics @@ -31340,7 +29383,6 @@ C6H11__2M4en3yl { specie { - nMoles 1; molWeight 83.1546; } thermodynamics @@ -31356,7 +29398,6 @@ B2O3(L) { specie { - nMoles 1; molWeight 69.6202; } thermodynamics @@ -31372,7 +29413,6 @@ PbF2 { specie { - nMoles 1; molWeight 245.187; } thermodynamics @@ -31388,7 +29428,6 @@ C14H10__Phenanth { specie { - nMoles 1; molWeight 178.236; } thermodynamics @@ -31404,7 +29443,6 @@ C9H7N_ISOQUINOLI { specie { - nMoles 1; molWeight 129.163; } thermodynamics @@ -31420,7 +29458,6 @@ C5H10O2_Valeric_ac { specie { - nMoles 1; molWeight 102.134; } thermodynamics @@ -31436,7 +29473,6 @@ SbF3 { specie { - nMoles 1; molWeight 178.745; } thermodynamics @@ -31452,7 +29488,6 @@ CI { specie { - nMoles 1; molWeight 138.916; } thermodynamics @@ -31468,7 +29503,6 @@ C12H6Cl2O2 { specie { - nMoles 1; molWeight 253.086; } thermodynamics @@ -31484,7 +29518,6 @@ s-(HCOOH)2__DIMER { specie { - nMoles 1; molWeight 92.0518; } thermodynamics @@ -31500,7 +29533,6 @@ C13H10O__Benzoph { specie { - nMoles 1; molWeight 182.224; } thermodynamics @@ -31516,7 +29548,6 @@ C2H2Cl2_Equilibriu { specie { - nMoles 1; molWeight 96.9442; } thermodynamics @@ -31532,7 +29563,6 @@ HNO2+_cis____HF2 { specie { - nMoles 1; molWeight 47.0129; } thermodynamics @@ -31548,7 +29578,6 @@ CBr { specie { - nMoles 1; molWeight 91.912; } thermodynamics @@ -31564,7 +29593,6 @@ C2(NO2)2 { specie { - nMoles 1; molWeight 116.033; } thermodynamics @@ -31580,7 +29608,6 @@ CCN__Radical { specie { - nMoles 1; molWeight 38.029; } thermodynamics @@ -31596,7 +29623,6 @@ C10H15__c5h8*-c5 { specie { - nMoles 1; molWeight 135.231; } thermodynamics @@ -31612,7 +29638,6 @@ H2Sn(C2H5)2 { specie { - nMoles 1; molWeight 178.83; } thermodynamics @@ -31628,7 +29653,6 @@ Al2O3(b) { specie { - nMoles 1; molWeight 101.961; } thermodynamics @@ -31644,7 +29668,6 @@ Cr { specie { - nMoles 1; molWeight 51.996; } thermodynamics @@ -31660,7 +29683,6 @@ MgSiO3(III) { specie { - nMoles 1; molWeight 100.396; } thermodynamics @@ -31676,7 +29698,6 @@ C5H7Cl2 { specie { - nMoles 1; molWeight 138.018; } thermodynamics @@ -31692,7 +29713,6 @@ C6H7+_1,4_cyDiEne { specie { - nMoles 1; molWeight 79.1221; } thermodynamics @@ -31708,7 +29728,6 @@ Cu { specie { - nMoles 1; molWeight 63.54; } thermodynamics @@ -31724,7 +29743,6 @@ HCCNO2 { specie { - nMoles 1; molWeight 71.0358; } thermodynamics @@ -31740,7 +29758,6 @@ S2Cl2 { specie { - nMoles 1; molWeight 135.034; } thermodynamics @@ -31756,7 +29773,6 @@ CHNH2+__cation { specie { - nMoles 1; molWeight 29.0412; } thermodynamics @@ -31772,7 +29788,6 @@ MgI { specie { - nMoles 1; molWeight 151.216; } thermodynamics @@ -31788,7 +29803,6 @@ C25H20___TetraPh { specie { - nMoles 1; molWeight 320.438; } thermodynamics @@ -31804,7 +29818,6 @@ C7H14O__MIAK { specie { - nMoles 1; molWeight 114.189; } thermodynamics @@ -31820,7 +29833,6 @@ Mg+ { specie { - nMoles 1; molWeight 24.3115; } thermodynamics @@ -31836,7 +29848,6 @@ C5H8O_CYC5H8=O { specie { - nMoles 1; molWeight 84.1189; } thermodynamics @@ -31852,7 +29863,6 @@ Po2_DiPolonium { specie { - nMoles 1; molWeight 420; } thermodynamics @@ -31868,7 +29878,6 @@ Cr2O3(L) { specie { - nMoles 1; molWeight 151.99; } thermodynamics @@ -31884,7 +29893,6 @@ CN- { specie { - nMoles 1; molWeight 26.0184; } thermodynamics @@ -31900,7 +29908,6 @@ HD { specie { - nMoles 1; molWeight 3.02207; } thermodynamics @@ -31916,7 +29923,6 @@ o-C6H5ClO_cis(Z) { specie { - nMoles 1; molWeight 163.004; } thermodynamics @@ -31932,7 +29938,6 @@ C4H9O_DiEthyl_Et { specie { - nMoles 1; molWeight 73.1157; } thermodynamics @@ -31948,7 +29953,6 @@ C2Br6 { specie { - nMoles 1; molWeight 503.428; } thermodynamics @@ -31964,7 +29968,6 @@ HBr { specie { - nMoles 1; molWeight 80.9089; } thermodynamics @@ -31980,7 +29983,6 @@ NCCH2O_Radical { specie { - nMoles 1; molWeight 56.0443; } thermodynamics @@ -31996,7 +29998,6 @@ Sn+ { specie { - nMoles 1; molWeight 118.689; } thermodynamics @@ -32012,7 +30013,6 @@ CH2Cl-CH2Cl { specie { - nMoles 1; molWeight 98.9602; } thermodynamics @@ -32028,7 +30028,6 @@ C2H2F4_1,1,1,2 { specie { - nMoles 1; molWeight 102.032; } thermodynamics @@ -32044,7 +30043,6 @@ C18H33O2_Oleatoxy { specie { - nMoles 1; molWeight 281.463; } thermodynamics @@ -32060,7 +30058,6 @@ C24H20Pb__TetraP { specie { - nMoles 1; molWeight 515.617; } thermodynamics @@ -32076,7 +30073,6 @@ HOCO+__radical_c { specie { - nMoles 1; molWeight 45.0174; } thermodynamics @@ -32092,7 +30088,6 @@ D2S { specie { - nMoles 1; molWeight 36.0922; } thermodynamics @@ -32108,7 +30103,6 @@ C3H3_*CH(CH=CH) { specie { - nMoles 1; molWeight 39.0574; } thermodynamics @@ -32124,7 +30118,6 @@ C18H34O2_Oleic_ac { specie { - nMoles 1; molWeight 282.47; } thermodynamics @@ -32140,7 +30133,6 @@ PF2 { specie { - nMoles 1; molWeight 68.9706; } thermodynamics @@ -32156,7 +30148,6 @@ C6H8_3-CH3-1,3C5H5 { specie { - nMoles 1; molWeight 80.1307; } thermodynamics @@ -32172,7 +30163,6 @@ C(NO)+_cy { specie { - nMoles 1; molWeight 42.0167; } thermodynamics @@ -32188,7 +30178,6 @@ Ca { specie { - nMoles 1; molWeight 40.08; } thermodynamics @@ -32204,7 +30193,6 @@ C5H12__n-pentane { specie { - nMoles 1; molWeight 72.1514; } thermodynamics @@ -32220,7 +30208,6 @@ C8H8__Cubane { specie { - nMoles 1; molWeight 104.153; } thermodynamics @@ -32236,7 +30223,6 @@ C4H8O2_DIOXANE { specie { - nMoles 1; molWeight 88.1072; } thermodynamics @@ -32252,7 +30238,6 @@ AlO { specie { - nMoles 1; molWeight 42.9809; } thermodynamics @@ -32268,7 +30253,6 @@ Mo2C(S) { specie { - nMoles 1; molWeight 203.891; } thermodynamics @@ -32284,7 +30268,6 @@ C3H7S_2-PropylThio { specie { - nMoles 1; molWeight 75.1532; } thermodynamics @@ -32300,7 +30283,6 @@ C8H16O2_cis-acid { specie { - nMoles 1; molWeight 144.216; } thermodynamics @@ -32316,7 +30298,6 @@ SF5Br { specie { - nMoles 1; molWeight 206.957; } thermodynamics @@ -32332,7 +30313,6 @@ Mo(s) { specie { - nMoles 1; molWeight 95.94; } thermodynamics @@ -32348,7 +30328,6 @@ C3H6O2_C2H5COOH { specie { - nMoles 1; molWeight 74.0801; } thermodynamics @@ -32364,7 +30343,6 @@ cy-C5H5+__cycation { specie { - nMoles 1; molWeight 65.0951; } thermodynamics @@ -32380,7 +30358,6 @@ NO2- { specie { - nMoles 1; molWeight 46.006; } thermodynamics @@ -32396,7 +30373,6 @@ C2HBr4_1,1,2,2 { specie { - nMoles 1; molWeight 344.634; } thermodynamics @@ -32412,7 +30388,6 @@ F2+ { specie { - nMoles 1; molWeight 37.9963; } thermodynamics @@ -32428,7 +30403,6 @@ CF2Cl-CHClF_123a { specie { - nMoles 1; molWeight 152.931; } thermodynamics @@ -32444,7 +30418,6 @@ COOH { specie { - nMoles 1; molWeight 45.0179; } thermodynamics @@ -32460,7 +30433,6 @@ CH3COCl_Acetyl-Cl { specie { - nMoles 1; molWeight 78.4986; } thermodynamics @@ -32476,7 +30448,6 @@ Ne { specie { - nMoles 1; molWeight 20.183; } thermodynamics @@ -32492,7 +30463,6 @@ HgCl2 { specie { - nMoles 1; molWeight 271.496; } thermodynamics @@ -32508,7 +30478,6 @@ H- { specie { - nMoles 1; molWeight 1.00852; } thermodynamics @@ -32524,7 +30493,6 @@ HCCN_singlet { specie { - nMoles 1; molWeight 39.037; } thermodynamics @@ -32540,7 +30508,6 @@ C6H5-CH=CHCH=CH* { specie { - nMoles 1; molWeight 127.167; } thermodynamics @@ -32556,7 +30523,6 @@ C2H6O2_Peroxyeth { specie { - nMoles 1; molWeight 62.0689; } thermodynamics @@ -32572,7 +30538,6 @@ COS { specie { - nMoles 1; molWeight 60.0746; } thermodynamics @@ -32588,7 +30553,6 @@ C7H12__Norbornane { specie { - nMoles 1; molWeight 96.1737; } thermodynamics @@ -32604,7 +30568,6 @@ Pd(cr) { specie { - nMoles 1; molWeight 106.4; } thermodynamics @@ -32620,7 +30583,6 @@ C14H9_2-Antryl_R { specie { - nMoles 1; molWeight 177.228; } thermodynamics @@ -32636,7 +30598,6 @@ SbCl3 { specie { - nMoles 1; molWeight 228.109; } thermodynamics @@ -32652,7 +30613,6 @@ C4H9O2_s-Butyl_P { specie { - nMoles 1; molWeight 89.1151; } thermodynamics @@ -32668,7 +30628,6 @@ C4H10O_DEE_DiEth { specie { - nMoles 1; molWeight 74.1237; } thermodynamics @@ -32684,7 +30643,6 @@ SiS2__Liquid { specie { - nMoles 1; molWeight 92.214; } thermodynamics @@ -32700,7 +30658,6 @@ C6H7__C5H5-3-CH2 { specie { - nMoles 1; molWeight 79.1227; } thermodynamics @@ -32716,7 +30673,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -32732,7 +30688,6 @@ C5H4_TETRAENE { specie { - nMoles 1; molWeight 64.0876; } thermodynamics @@ -32748,7 +30703,6 @@ s-1-C10H7-CH3 { specie { - nMoles 1; molWeight 142.202; } thermodynamics @@ -32764,7 +30718,6 @@ C3H7S_PropylThiol { specie { - nMoles 1; molWeight 75.1532; } thermodynamics @@ -32780,7 +30733,6 @@ C2H6O2_1,2-diOl { specie { - nMoles 1; molWeight 62.0689; } thermodynamics @@ -32796,7 +30748,6 @@ Sb________GAS { specie { - nMoles 1; molWeight 121.75; } thermodynamics @@ -32812,7 +30763,6 @@ C12H8O_DiBenzoFu { specie { - nMoles 1; molWeight 168.197; } thermodynamics @@ -32828,7 +30778,6 @@ C2N2+__NC-CN+__H { specie { - nMoles 1; molWeight 52.0352; } thermodynamics @@ -32844,7 +30793,6 @@ CH3OH(L) { specie { - nMoles 1; molWeight 32.0424; } thermodynamics @@ -32860,7 +30808,6 @@ KNO3(L) { specie { - nMoles 1; molWeight 101.107; } thermodynamics @@ -32876,7 +30823,6 @@ s-1,2-C2H2F2-trans { specie { - nMoles 1; molWeight 64.035; } thermodynamics @@ -32892,7 +30838,6 @@ C5H8N4O12_PETN { specie { - nMoles 1; molWeight 316.139; } thermodynamics @@ -32908,7 +30853,6 @@ N-NITRO-AZETIDIN { specie { - nMoles 1; molWeight 102.093; } thermodynamics @@ -32924,7 +30868,6 @@ PF3 { specie { - nMoles 1; molWeight 87.969; } thermodynamics @@ -32940,7 +30883,6 @@ H2PO__HPOH { specie { - nMoles 1; molWeight 48.9891; } thermodynamics @@ -32956,7 +30898,6 @@ Ni(cr) { specie { - nMoles 1; molWeight 58.71; } thermodynamics @@ -32972,7 +30913,6 @@ C4H10O_n-butanol { specie { - nMoles 1; molWeight 74.1237; } thermodynamics @@ -32988,7 +30928,6 @@ H2O2+__trans { specie { - nMoles 1; molWeight 34.0142; } thermodynamics @@ -33004,7 +30943,6 @@ C5H5OH_Cyclo-2,4 { specie { - nMoles 1; molWeight 82.103; } thermodynamics @@ -33020,7 +30958,6 @@ s-1,4-C6H4_BENZYNE { specie { - nMoles 1; molWeight 76.0988; } thermodynamics @@ -33036,7 +30973,6 @@ C2H5O-__CH3C*HOH- { specie { - nMoles 1; molWeight 45.0621; } thermodynamics @@ -33052,7 +30988,6 @@ C12H4Cl6O2__tric { specie { - nMoles 1; molWeight 392.882; } thermodynamics @@ -33068,7 +31003,6 @@ COCl { specie { - nMoles 1; molWeight 63.4636; } thermodynamics @@ -33084,7 +31018,6 @@ C6H8O5(NO2)2 { specie { - nMoles 1; molWeight 252.139; } thermodynamics @@ -33100,7 +31033,6 @@ C2D6N2_Azomethan { specie { - nMoles 1; molWeight 64.1203; } thermodynamics @@ -33116,7 +31048,6 @@ CBr2F2 { specie { - nMoles 1; molWeight 209.81; } thermodynamics @@ -33132,7 +31063,6 @@ Zr(L) { specie { - nMoles 1; molWeight 91.22; } thermodynamics @@ -33148,7 +31078,6 @@ C4H7O2_Peroxy_Rad { specie { - nMoles 1; molWeight 87.0992; } thermodynamics @@ -33164,7 +31093,6 @@ C10H9+_protonazule { specie { - nMoles 1; molWeight 129.183; } thermodynamics @@ -33180,7 +31108,6 @@ GeBr4 { specie { - nMoles 1; molWeight 392.194; } thermodynamics @@ -33196,7 +31123,6 @@ C2H6+_Ethane_cat { specie { - nMoles 1; molWeight 30.0696; } thermodynamics @@ -33212,7 +31138,6 @@ C9H12__1-2-4-TMB { specie { - nMoles 1; molWeight 120.196; } thermodynamics @@ -33228,7 +31153,6 @@ ZrO2(II) { specie { - nMoles 1; molWeight 123.219; } thermodynamics @@ -33244,7 +31168,6 @@ CH2CN_Radical { specie { - nMoles 1; molWeight 40.0449; } thermodynamics @@ -33260,7 +31183,6 @@ CH2N__H*C=NH_Trans { specie { - nMoles 1; molWeight 28.0338; } thermodynamics @@ -33276,7 +31198,6 @@ P4O7 { specie { - nMoles 1; molWeight 235.891; } thermodynamics @@ -33292,7 +31213,6 @@ C5H5O__1-oxy-1,4- { specie { - nMoles 1; molWeight 81.095; } thermodynamics @@ -33308,7 +31228,6 @@ C6H12O2_MeValere { specie { - nMoles 1; molWeight 116.161; } thermodynamics @@ -33324,7 +31243,6 @@ C7H8_Quadricyclen { specie { - nMoles 1; molWeight 92.1418; } thermodynamics @@ -33340,7 +31258,6 @@ C2H5I { specie { - nMoles 1; molWeight 155.967; } thermodynamics @@ -33356,7 +31273,6 @@ CH3OH_Metanol { specie { - nMoles 1; molWeight 32.0424; } thermodynamics @@ -33372,7 +31288,6 @@ S+ { specie { - nMoles 1; molWeight 32.0635; } thermodynamics @@ -33388,7 +31303,6 @@ C4H10_isobutane { specie { - nMoles 1; molWeight 58.1243; } thermodynamics @@ -33404,7 +31318,6 @@ C12H5Cl5O2_PD { specie { - nMoles 1; molWeight 358.437; } thermodynamics @@ -33420,7 +31333,6 @@ C16H30O2_acid { specie { - nMoles 1; molWeight 254.416; } thermodynamics @@ -33436,7 +31348,6 @@ MgH2(L) { specie { - nMoles 1; molWeight 26.3279; } thermodynamics @@ -33452,7 +31363,6 @@ C3H4Cl { specie { - nMoles 1; molWeight 75.5183; } thermodynamics @@ -33468,7 +31378,6 @@ C3F6__CF2=CF-CF3 { specie { - nMoles 1; molWeight 150.024; } thermodynamics @@ -33484,7 +31393,6 @@ s-(NH2)2C=N-NO2 { specie { - nMoles 1; molWeight 104.069; } thermodynamics @@ -33500,7 +31408,6 @@ C3H3O_*CH2-CH=CO { specie { - nMoles 1; molWeight 55.0568; } thermodynamics @@ -33516,7 +31423,6 @@ CNN { specie { - nMoles 1; molWeight 40.0246; } thermodynamics @@ -33532,7 +31438,6 @@ C2H3F2_Radical { specie { - nMoles 1; molWeight 65.043; } thermodynamics @@ -33548,7 +31453,6 @@ C2D2_Acetylene-D { specie { - nMoles 1; molWeight 28.0505; } thermodynamics @@ -33564,7 +31468,6 @@ Br- { specie { - nMoles 1; molWeight 79.9014; } thermodynamics @@ -33580,7 +31483,6 @@ MgSO4(I) { specie { - nMoles 1; molWeight 120.374; } thermodynamics @@ -33596,7 +31498,6 @@ C2HFCl2_equilibr { specie { - nMoles 1; molWeight 114.935; } thermodynamics @@ -33612,7 +31513,6 @@ NiS(a) { specie { - nMoles 1; molWeight 90.774; } thermodynamics @@ -33628,7 +31528,6 @@ H3PO4(L) { specie { - nMoles 1; molWeight 97.9953; } thermodynamics @@ -33644,7 +31543,6 @@ Na2O(b) { specie { - nMoles 1; molWeight 61.979; } thermodynamics @@ -33660,7 +31558,6 @@ CH3C(O)O-ONO2 { specie { - nMoles 1; molWeight 121.05; } thermodynamics @@ -33676,7 +31573,6 @@ C3H3Cl_1-Cl-1Prop { specie { - nMoles 1; molWeight 74.5104; } thermodynamics @@ -33692,7 +31588,6 @@ C2H { specie { - nMoles 1; molWeight 25.0303; } thermodynamics @@ -33708,7 +31603,6 @@ ZnSO4(ap) { specie { - nMoles 1; molWeight 161.432; } thermodynamics @@ -33724,7 +31618,6 @@ CH3NO2 { specie { - nMoles 1; molWeight 61.0406; } thermodynamics @@ -33740,7 +31633,6 @@ NH2OH__cis { specie { - nMoles 1; molWeight 33.03; } thermodynamics @@ -33756,7 +31648,6 @@ HgBr2 { specie { - nMoles 1; molWeight 360.392; } thermodynamics @@ -33772,7 +31663,6 @@ C4H7OOH__Peroxyb { specie { - nMoles 1; molWeight 88.1072; } thermodynamics @@ -33788,7 +31678,6 @@ C18H36O2_etPalmita { specie { - nMoles 1; molWeight 284.486; } thermodynamics @@ -33804,7 +31693,6 @@ COFCl { specie { - nMoles 1; molWeight 82.462; } thermodynamics @@ -33820,7 +31708,6 @@ NHD { specie { - nMoles 1; molWeight 17.0288; } thermodynamics @@ -33836,7 +31723,6 @@ C12H23O2__1,12 { specie { - nMoles 1; molWeight 199.316; } thermodynamics @@ -33852,7 +31738,6 @@ CH3SnH3 { specie { - nMoles 1; molWeight 136.749; } thermodynamics @@ -33868,7 +31753,6 @@ C5H9_2-en-5yl { specie { - nMoles 1; molWeight 69.1275; } thermodynamics @@ -33884,7 +31768,6 @@ C6H6+_Benzene_ion { specie { - nMoles 1; molWeight 78.1142; } thermodynamics @@ -33900,7 +31783,6 @@ BrCN { specie { - nMoles 1; molWeight 105.919; } thermodynamics @@ -33916,7 +31798,6 @@ C2HClF2_trans { specie { - nMoles 1; molWeight 98.4801; } thermodynamics @@ -33932,7 +31813,6 @@ SF { specie { - nMoles 1; molWeight 51.0624; } thermodynamics @@ -33948,7 +31828,6 @@ HgO(cr) { specie { - nMoles 1; molWeight 216.589; } thermodynamics @@ -33964,7 +31843,6 @@ C8H7___i-styryl { specie { - nMoles 1; molWeight 103.145; } thermodynamics @@ -33980,7 +31858,6 @@ GeCl { specie { - nMoles 1; molWeight 108.043; } thermodynamics @@ -33996,7 +31873,6 @@ CHClF2__HCFC-22 { specie { - nMoles 1; molWeight 86.4689; } thermodynamics @@ -34012,7 +31888,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -34028,7 +31903,6 @@ S2 { specie { - nMoles 1; molWeight 64.128; } thermodynamics @@ -34044,7 +31918,6 @@ C7H10__Norbornene { specie { - nMoles 1; molWeight 94.1578; } thermodynamics @@ -34060,7 +31933,6 @@ CHF__triplet { specie { - nMoles 1; molWeight 32.0175; } thermodynamics @@ -34076,7 +31948,6 @@ CH2O+__CH**-OH { specie { - nMoles 1; molWeight 30.0259; } thermodynamics @@ -34092,7 +31963,6 @@ Si(L) { specie { - nMoles 1; molWeight 28.086; } thermodynamics @@ -34108,7 +31978,6 @@ FO2____F-O-O { specie { - nMoles 1; molWeight 50.9972; } thermodynamics @@ -34124,7 +31993,6 @@ C4H8__Isobuten { specie { - nMoles 1; molWeight 56.1084; } thermodynamics @@ -34140,7 +32008,6 @@ C2HF { specie { - nMoles 1; molWeight 44.0287; } thermodynamics @@ -34156,7 +32023,6 @@ CH5+_cation { specie { - nMoles 1; molWeight 17.0505; } thermodynamics @@ -34172,7 +32038,6 @@ C13H26O2_n-acide { specie { - nMoles 1; molWeight 214.351; } thermodynamics @@ -34188,7 +32053,6 @@ NiO(cr)C { specie { - nMoles 1; molWeight 74.7094; } thermodynamics @@ -34204,7 +32068,6 @@ SiC2 { specie { - nMoles 1; molWeight 52.1083; } thermodynamics @@ -34220,7 +32083,6 @@ C20H38O2_EtOleate { specie { - nMoles 1; molWeight 310.525; } thermodynamics @@ -34236,7 +32098,6 @@ beta_HMX__198-54 { specie { - nMoles 1; molWeight 296.157; } thermodynamics @@ -34252,7 +32113,6 @@ Rn { specie { - nMoles 1; molWeight 222; } thermodynamics @@ -34268,7 +32128,6 @@ NH4NO3(L) { specie { - nMoles 1; molWeight 80.0435; } thermodynamics @@ -34284,7 +32143,6 @@ CH2O2-__CH2(OO)- { specie { - nMoles 1; molWeight 46.0264; } thermodynamics @@ -34300,7 +32158,6 @@ C7H8(L)_Toluene { specie { - nMoles 1; molWeight 92.1418; } thermodynamics @@ -34316,7 +32173,6 @@ CrCl { specie { - nMoles 1; molWeight 87.449; } thermodynamics @@ -34332,7 +32188,6 @@ Jet-A(L)_C12H23 { specie { - nMoles 1; molWeight 167.317; } thermodynamics @@ -34348,7 +32203,6 @@ OS(cr) { specie { - nMoles 1; molWeight 190.2; } thermodynamics @@ -34364,7 +32218,6 @@ C15H32_n-PentaDe { specie { - nMoles 1; molWeight 198.395; } thermodynamics @@ -34380,7 +32233,6 @@ PO-_Polonium_anion { specie { - nMoles 1; molWeight 210.001; } thermodynamics @@ -34396,7 +32248,6 @@ Br2S { specie { - nMoles 1; molWeight 191.866; } thermodynamics @@ -34412,7 +32263,6 @@ O-C12D9_________O- { specie { - nMoles 1; molWeight 162.261; } thermodynamics @@ -34428,7 +32278,6 @@ GeBr { specie { - nMoles 1; molWeight 152.491; } thermodynamics @@ -34444,7 +32293,6 @@ C6H6(L) { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -34460,7 +32308,6 @@ C4H7__trans-2-Bu { specie { - nMoles 1; molWeight 55.1004; } thermodynamics @@ -34476,7 +32323,6 @@ Ni3S2(L) { specie { - nMoles 1; molWeight 240.258; } thermodynamics @@ -34492,7 +32338,6 @@ N2O3-_ONONO- { specie { - nMoles 1; molWeight 76.0121; } thermodynamics @@ -34508,7 +32353,6 @@ C5H5O2__2-Penten { specie { - nMoles 1; molWeight 97.0944; } thermodynamics @@ -34524,7 +32368,6 @@ C2H5O2__C2H5OO { specie { - nMoles 1; molWeight 61.061; } thermodynamics @@ -34540,7 +32383,6 @@ C6H4(C2H)CH=CH* { specie { - nMoles 1; molWeight 127.167; } thermodynamics @@ -34556,7 +32398,6 @@ CF3+ { specie { - nMoles 1; molWeight 69.0058; } thermodynamics @@ -34572,7 +32413,6 @@ O(CH)2O_Glyoxal { specie { - nMoles 1; molWeight 58.037; } thermodynamics @@ -34588,7 +32428,6 @@ Fe(L) { specie { - nMoles 1; molWeight 55.847; } thermodynamics @@ -34604,7 +32443,6 @@ W { specie { - nMoles 1; molWeight 183.85; } thermodynamics @@ -34620,7 +32458,6 @@ C19H36O2_meOleic { specie { - nMoles 1; molWeight 296.498; } thermodynamics @@ -34636,7 +32473,6 @@ MgCl2 { specie { - nMoles 1; molWeight 95.218; } thermodynamics @@ -34652,7 +32488,6 @@ C10H15_JP10_RAD. { specie { - nMoles 1; molWeight 135.231; } thermodynamics @@ -34668,7 +32503,6 @@ B2F4 { specie { - nMoles 1; molWeight 97.6156; } thermodynamics @@ -34684,7 +32518,6 @@ C6H6_1,3-Butadie { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -34700,7 +32533,6 @@ MgCl2(cr) { specie { - nMoles 1; molWeight 95.218; } thermodynamics @@ -34716,7 +32548,6 @@ Xe { specie { - nMoles 1; molWeight 131.3; } thermodynamics @@ -34732,7 +32563,6 @@ GeS2(II)(s) { specie { - nMoles 1; molWeight 136.718; } thermodynamics @@ -34748,7 +32578,6 @@ Al2O { specie { - nMoles 1; molWeight 69.9624; } thermodynamics @@ -34764,7 +32593,6 @@ CuO { specie { - nMoles 1; molWeight 79.5394; } thermodynamics @@ -34780,7 +32608,6 @@ Mg2SiO4(L) { specie { - nMoles 1; molWeight 140.708; } thermodynamics @@ -34796,7 +32623,6 @@ SCl2+ { specie { - nMoles 1; molWeight 102.969; } thermodynamics @@ -34812,7 +32638,6 @@ C20H32O2_Arachid { specie { - nMoles 1; molWeight 304.477; } thermodynamics @@ -34828,7 +32653,6 @@ Sb4__tetrahedron { specie { - nMoles 1; molWeight 487; } thermodynamics @@ -34844,7 +32668,6 @@ CH4___ANHARMONIC { specie { - nMoles 1; molWeight 16.043; } thermodynamics @@ -34860,7 +32683,6 @@ B2H2 { specie { - nMoles 1; molWeight 23.6379; } thermodynamics @@ -34876,7 +32698,6 @@ C2Cl5___Pentachl { specie { - nMoles 1; molWeight 201.287; } thermodynamics @@ -34892,7 +32713,6 @@ C2Br3 { specie { - nMoles 1; molWeight 263.725; } thermodynamics @@ -34908,7 +32728,6 @@ C4H6_Dime_acetylen { specie { - nMoles 1; molWeight 54.0924; } thermodynamics @@ -34924,7 +32743,6 @@ CHF2Br_HBFC-22B1 { specie { - nMoles 1; molWeight 130.917; } thermodynamics @@ -34940,7 +32758,6 @@ CNN- { specie { - nMoles 1; molWeight 40.0251; } thermodynamics @@ -34956,7 +32773,6 @@ CH2=CHO*__Vinyl- { specie { - nMoles 1; molWeight 43.0456; } thermodynamics @@ -34972,7 +32788,6 @@ p-C6H4I2 { specie { - nMoles 1; molWeight 329.908; } thermodynamics @@ -34988,7 +32803,6 @@ C9H12__propylben { specie { - nMoles 1; molWeight 120.196; } thermodynamics @@ -35004,7 +32818,6 @@ ClO { specie { - nMoles 1; molWeight 51.4524; } thermodynamics @@ -35020,7 +32833,6 @@ C18H15N__Triphamin { specie { - nMoles 1; molWeight 245.327; } thermodynamics @@ -35036,7 +32848,6 @@ C8H7___1,3,5,7_Cy { specie { - nMoles 1; molWeight 103.145; } thermodynamics @@ -35052,7 +32863,6 @@ PbS(cr)__GALENA { specie { - nMoles 1; molWeight 239.254; } thermodynamics @@ -35068,7 +32878,6 @@ MgBr2 { specie { - nMoles 1; molWeight 184.114; } thermodynamics @@ -35084,7 +32893,6 @@ C4H2+__DiAcetyle { specie { - nMoles 1; molWeight 50.06; } thermodynamics @@ -35100,7 +32908,6 @@ KNO3(a)_Rhombic { specie { - nMoles 1; molWeight 101.107; } thermodynamics @@ -35116,7 +32923,6 @@ C2HCl3 { specie { - nMoles 1; molWeight 165.834; } thermodynamics @@ -35132,7 +32938,6 @@ C5H5N5O__Guanine { specie { - nMoles 1; molWeight 151.129; } thermodynamics @@ -35148,7 +32953,6 @@ s-1-C10H7-CH2* { specie { - nMoles 1; molWeight 141.194; } thermodynamics @@ -35164,7 +32968,6 @@ C16H320O2_etMyrist { specie { - nMoles 1; molWeight 256.432; } thermodynamics @@ -35180,7 +32983,6 @@ PH3_RRHO { specie { - nMoles 1; molWeight 33.9977; } thermodynamics @@ -35196,7 +32998,6 @@ C4H6Cl2_1,4-DiCl { specie { - nMoles 1; molWeight 124.998; } thermodynamics @@ -35212,7 +33013,6 @@ CHBr2Cl { specie { - nMoles 1; molWeight 208.274; } thermodynamics @@ -35228,7 +33028,6 @@ HNO2-_cis____HF2 { specie { - nMoles 1; molWeight 47.014; } thermodynamics @@ -35244,7 +33043,6 @@ C2F6____FC-116 { specie { - nMoles 1; molWeight 138.013; } thermodynamics @@ -35260,7 +33058,6 @@ ClC2H4OH__ATcT_C { specie { - nMoles 1; molWeight 80.5146; } thermodynamics @@ -35276,7 +33073,6 @@ AlBr { specie { - nMoles 1; molWeight 106.882; } thermodynamics @@ -35292,7 +33088,6 @@ C6Cr23 { specie { - nMoles 1; molWeight 1267.97; } thermodynamics @@ -35308,7 +33103,6 @@ C6H6_1,3-Hexadie { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -35324,7 +33118,6 @@ Na2O { specie { - nMoles 1; molWeight 61.979; } thermodynamics @@ -35340,7 +33133,6 @@ CHCl { specie { - nMoles 1; molWeight 48.4721; } thermodynamics @@ -35356,7 +33148,6 @@ CH4____RRHO { specie { - nMoles 1; molWeight 16.043; } thermodynamics @@ -35372,7 +33163,6 @@ C4H10_n-butane { specie { - nMoles 1; molWeight 58.1243; } thermodynamics @@ -35388,7 +33178,6 @@ ClI__Iodine_Chlo { specie { - nMoles 1; molWeight 162.357; } thermodynamics @@ -35404,7 +33193,6 @@ C4F6_CycloButene { specie { - nMoles 1; molWeight 162.035; } thermodynamics @@ -35420,7 +33208,6 @@ C24Cl12_Coronene { specie { - nMoles 1; molWeight 713.704; } thermodynamics @@ -35436,7 +33223,6 @@ O2- { specie { - nMoles 1; molWeight 31.9993; } thermodynamics @@ -35452,7 +33238,6 @@ SD { specie { - nMoles 1; molWeight 34.0781; } thermodynamics @@ -35468,7 +33253,6 @@ C3H2F4_CF3-CF=CF3 { specie { - nMoles 1; molWeight 114.043; } thermodynamics @@ -35484,7 +33268,6 @@ BF4- { specie { - nMoles 1; molWeight 86.8051; } thermodynamics @@ -35500,7 +33283,6 @@ NO2HCCNO2_radical { specie { - nMoles 1; molWeight 117.041; } thermodynamics @@ -35516,7 +33298,6 @@ C4H5O2_E-Crotoat { specie { - nMoles 1; molWeight 85.0833; } thermodynamics @@ -35532,7 +33313,6 @@ MgF2+ { specie { - nMoles 1; molWeight 62.3083; } thermodynamics @@ -35548,7 +33328,6 @@ C14H30_Tetradecan { specie { - nMoles 1; molWeight 198.395; } thermodynamics @@ -35564,7 +33343,6 @@ SF3+ { specie { - nMoles 1; molWeight 89.0587; } thermodynamics @@ -35580,7 +33358,6 @@ H2+ { specie { - nMoles 1; molWeight 2.0154; } thermodynamics @@ -35596,7 +33373,6 @@ C3H8O_2propanol { specie { - nMoles 1; molWeight 60.0966; } thermodynamics @@ -35612,7 +33388,6 @@ BrO2__Br-O-O { specie { - nMoles 1; molWeight 111.9; } thermodynamics @@ -35628,7 +33403,6 @@ NH+ { specie { - nMoles 1; molWeight 15.0141; } thermodynamics @@ -35644,7 +33418,6 @@ C6H5ClO__2,5-cyc { specie { - nMoles 1; molWeight 128.559; } thermodynamics @@ -35660,7 +33433,6 @@ C7H8__1,6-diyne { specie { - nMoles 1; molWeight 92.1418; } thermodynamics @@ -35676,7 +33448,6 @@ CHCl2 { specie { - nMoles 1; molWeight 83.9251; } thermodynamics @@ -35692,7 +33463,6 @@ C2H3I_Iodoethyle { specie { - nMoles 1; molWeight 153.951; } thermodynamics @@ -35708,7 +33478,6 @@ CH2N__H*C=NH__cis { specie { - nMoles 1; molWeight 28.0338; } thermodynamics @@ -35724,7 +33493,6 @@ Na(L) { specie { - nMoles 1; molWeight 22.9898; } thermodynamics @@ -35740,7 +33508,6 @@ B(L) { specie { - nMoles 1; molWeight 10.811; } thermodynamics @@ -35756,7 +33523,6 @@ C10H2__linear { specie { - nMoles 1; molWeight 122.127; } thermodynamics @@ -35772,7 +33538,6 @@ B3O3F3 { specie { - nMoles 1; molWeight 137.426; } thermodynamics @@ -35788,7 +33553,6 @@ PbCl { specie { - nMoles 1; molWeight 242.643; } thermodynamics @@ -35804,7 +33568,6 @@ C2H5OH(L)_McBrid { specie { - nMoles 1; molWeight 46.0695; } thermodynamics @@ -35820,7 +33583,6 @@ C10_linear_triple { specie { - nMoles 1; molWeight 120.112; } thermodynamics @@ -35836,7 +33598,6 @@ C2Cl2F4__FC-114 { specie { - nMoles 1; molWeight 170.922; } thermodynamics @@ -35852,7 +33613,6 @@ H2S2__H-S-S-H { specie { - nMoles 1; molWeight 66.1439; } thermodynamics @@ -35868,7 +33628,6 @@ MgO { specie { - nMoles 1; molWeight 40.3114; } thermodynamics @@ -35884,7 +33643,6 @@ C4H8,cis2-buten { specie { - nMoles 1; molWeight 56.1084; } thermodynamics @@ -35900,7 +33658,6 @@ Si { specie { - nMoles 1; molWeight 28.086; } thermodynamics @@ -35916,7 +33673,6 @@ C7H5NS_Benzothiaz { specie { - nMoles 1; molWeight 135.189; } thermodynamics @@ -35932,7 +33688,6 @@ AlCl2 { specie { - nMoles 1; molWeight 97.8875; } thermodynamics @@ -35948,7 +33703,6 @@ s-(CH3)3COOC(CH3) { specie { - nMoles 1; molWeight 146.231; } thermodynamics @@ -35964,7 +33718,6 @@ H7F7 { specie { - nMoles 1; molWeight 140.045; } thermodynamics @@ -35980,7 +33733,6 @@ C2H3F { specie { - nMoles 1; molWeight 46.0446; } thermodynamics @@ -35996,7 +33748,6 @@ C3H5_Cyclopropyl { specie { - nMoles 1; molWeight 41.0733; } thermodynamics @@ -36012,7 +33763,6 @@ NSC3H3_IsoThiazole { specie { - nMoles 1; molWeight 85.1281; } thermodynamics @@ -36028,7 +33778,6 @@ PbS(L) { specie { - nMoles 1; molWeight 239.254; } thermodynamics @@ -36044,7 +33793,6 @@ COF2-_anion { specie { - nMoles 1; molWeight 66.0079; } thermodynamics @@ -36060,7 +33808,6 @@ CN { specie { - nMoles 1; molWeight 26.0179; } thermodynamics @@ -36076,7 +33823,6 @@ C3H6O2_Meacetate { specie { - nMoles 1; molWeight 74.0801; } thermodynamics @@ -36092,7 +33838,6 @@ C6H9__C5H7-3-CH2* { specie { - nMoles 1; molWeight 81.1386; } thermodynamics @@ -36108,7 +33853,6 @@ IO2__I-O-O { specie { - nMoles 1; molWeight 158.903; } thermodynamics @@ -36124,7 +33868,6 @@ C2H3+__Vinylium { specie { - nMoles 1; molWeight 27.0457; } thermodynamics @@ -36140,7 +33883,6 @@ K { specie { - nMoles 1; molWeight 39.102; } thermodynamics @@ -36156,7 +33898,6 @@ ZrO2 { specie { - nMoles 1; molWeight 123.219; } thermodynamics @@ -36172,7 +33913,6 @@ D- { specie { - nMoles 1; molWeight 2.01464; } thermodynamics @@ -36188,7 +33928,6 @@ HNO3+ { specie { - nMoles 1; molWeight 63.0123; } thermodynamics @@ -36204,7 +33943,6 @@ CClF { specie { - nMoles 1; molWeight 66.4626; } thermodynamics @@ -36220,7 +33958,6 @@ C6H12,cyclo- { specie { - nMoles 1; molWeight 84.1625; } thermodynamics @@ -36236,7 +33973,6 @@ s-(-ClC=C=CCl-)_cy { specie { - nMoles 1; molWeight 106.939; } thermodynamics @@ -36252,7 +33988,6 @@ CN+ { specie { - nMoles 1; molWeight 26.0173; } thermodynamics @@ -36268,7 +34003,6 @@ S2O { specie { - nMoles 1; molWeight 80.1274; } thermodynamics @@ -36284,7 +34018,6 @@ Hg(cr) { specie { - nMoles 1; molWeight 200.59; } thermodynamics @@ -36300,7 +34033,6 @@ GeS(s) { specie { - nMoles 1; molWeight 104.654; } thermodynamics @@ -36316,7 +34048,6 @@ D2O { specie { - nMoles 1; molWeight 20.0276; } thermodynamics @@ -36332,7 +34063,6 @@ DOT__Water-DT { specie { - nMoles 1; molWeight 65.9135; } thermodynamics @@ -36348,7 +34078,6 @@ B2H6 { specie { - nMoles 1; molWeight 27.6698; } thermodynamics @@ -36364,7 +34093,6 @@ TRI-NITRO_BENZEN { specie { - nMoles 1; molWeight 213.107; } thermodynamics @@ -36380,7 +34108,6 @@ SiF3 { specie { - nMoles 1; molWeight 85.0812; } thermodynamics @@ -36396,7 +34123,6 @@ C3H7NO3_NPN { specie { - nMoles 1; molWeight 105.094; } thermodynamics @@ -36412,7 +34138,6 @@ air { specie { - nMoles 1; molWeight 28.9644; } thermodynamics @@ -36428,7 +34153,6 @@ C6H5I_Iodobenzen { specie { - nMoles 1; molWeight 204.011; } thermodynamics @@ -36444,7 +34168,6 @@ o-C6H5ClO_trans(E) { specie { - nMoles 1; molWeight 163.004; } thermodynamics @@ -36460,7 +34183,6 @@ C4H5N3O__Cytosine { specie { - nMoles 1; molWeight 111.104; } thermodynamics @@ -36476,7 +34198,6 @@ HOF+_Hypoflorous { specie { - nMoles 1; molWeight 36.0052; } thermodynamics @@ -36492,7 +34213,6 @@ BOF { specie { - nMoles 1; molWeight 45.8088; } thermodynamics @@ -36508,7 +34228,6 @@ C4H8O4_Tetraoxocan { specie { - nMoles 1; molWeight 120.106; } thermodynamics @@ -36524,7 +34243,6 @@ HNO+ { specie { - nMoles 1; molWeight 31.0135; } thermodynamics @@ -36540,7 +34258,6 @@ Fe2O3(S)_Solid-A { specie { - nMoles 1; molWeight 159.692; } thermodynamics @@ -36556,7 +34273,6 @@ CH3NO__CH2=N-OH { specie { - nMoles 1; molWeight 45.0412; } thermodynamics @@ -36572,7 +34288,6 @@ C10H15_RADICAL { specie { - nMoles 1; molWeight 135.231; } thermodynamics @@ -36588,7 +34303,6 @@ C5H4OH_Cyclo-2,4 { specie { - nMoles 1; molWeight 81.095; } thermodynamics @@ -36604,7 +34318,6 @@ C6H13__2M-1yl { specie { - nMoles 1; molWeight 85.1705; } thermodynamics @@ -36620,7 +34333,6 @@ N2H3-_Hydrazine { specie { - nMoles 1; molWeight 31.0379; } thermodynamics @@ -36636,7 +34348,6 @@ C3H2(3)_H2C*-CC* { specie { - nMoles 1; molWeight 38.0494; } thermodynamics @@ -36652,7 +34363,6 @@ CH_excited_A2DEL { specie { - nMoles 1; molWeight 13.0191; } thermodynamics @@ -36668,7 +34378,6 @@ C4H5N_Cy-C3H5-CN { specie { - nMoles 1; molWeight 67.0911; } thermodynamics @@ -36684,7 +34393,6 @@ K2CO3 { specie { - nMoles 1; molWeight 138.213; } thermodynamics @@ -36700,7 +34408,6 @@ C6Cl6_Hexachloro { specie { - nMoles 1; molWeight 284.785; } thermodynamics @@ -36716,7 +34423,6 @@ BrO3 { specie { - nMoles 1; molWeight 127.899; } thermodynamics @@ -36732,7 +34438,6 @@ C8H10_1,4-dimeth { specie { - nMoles 1; molWeight 106.169; } thermodynamics @@ -36748,7 +34453,6 @@ HO3+_equil__HOOO { specie { - nMoles 1; molWeight 49.0056; } thermodynamics @@ -36764,7 +34468,6 @@ OH- { specie { - nMoles 1; molWeight 17.0079; } thermodynamics @@ -36780,7 +34483,6 @@ C6H5NH2(L) { specie { - nMoles 1; molWeight 93.1294; } thermodynamics @@ -36796,7 +34498,6 @@ CH2O+_Fornald_cati { specie { - nMoles 1; molWeight 30.0259; } thermodynamics @@ -36812,7 +34513,6 @@ C12H6Cl2O { specie { - nMoles 1; molWeight 237.087; } thermodynamics @@ -36828,7 +34528,6 @@ CD3NO2 { specie { - nMoles 1; molWeight 64.0589; } thermodynamics @@ -36844,7 +34543,6 @@ DF { specie { - nMoles 1; molWeight 21.0125; } thermodynamics @@ -36860,7 +34558,6 @@ C4H4O_Furan { specie { - nMoles 1; molWeight 68.0759; } thermodynamics @@ -36876,7 +34573,6 @@ C3H4_ALLENE { specie { - nMoles 1; molWeight 40.0653; } thermodynamics @@ -36892,7 +34588,6 @@ C2H6S_(CH3SCH3) { specie { - nMoles 1; molWeight 62.1341; } thermodynamics @@ -36908,7 +34603,6 @@ CNO__(NCO) { specie { - nMoles 1; molWeight 42.0173; } thermodynamics @@ -36924,7 +34618,6 @@ NT3__Tritium_Amo { specie { - nMoles 1; molWeight 157.707; } thermodynamics @@ -36940,7 +34633,6 @@ Na2O(L) { specie { - nMoles 1; molWeight 61.979; } thermodynamics @@ -36956,7 +34648,6 @@ CH2BrCOOH { specie { - nMoles 1; molWeight 138.946; } thermodynamics @@ -36972,7 +34663,6 @@ N2O4__O2NNO2 { specie { - nMoles 1; molWeight 92.011; } thermodynamics @@ -36988,7 +34678,6 @@ C7H9__C5H4(CH3)= { specie { - nMoles 1; molWeight 93.1498; } thermodynamics @@ -37004,7 +34693,6 @@ NO2+_cyclo_N(OO) { specie { - nMoles 1; molWeight 46.005; } thermodynamics @@ -37020,7 +34708,6 @@ HNO2+_trans_&_eq { specie { - nMoles 1; molWeight 47.0129; } thermodynamics @@ -37036,7 +34723,6 @@ C3H3_1-propynyl { specie { - nMoles 1; molWeight 39.0574; } thermodynamics @@ -37052,7 +34738,6 @@ C6H6__1,2-Hexadi { specie { - nMoles 1; molWeight 78.1147; } thermodynamics @@ -37068,7 +34753,6 @@ PbI3 { specie { - nMoles 1; molWeight 587.903; } thermodynamics @@ -37084,7 +34768,6 @@ C5H10O2_Butyrate { specie { - nMoles 1; molWeight 102.134; } thermodynamics @@ -37100,7 +34783,6 @@ N4+_cyclo { specie { - nMoles 1; molWeight 56.0263; } thermodynamics @@ -37116,7 +34798,6 @@ C8H7___2,3,5,7_Cy { specie { - nMoles 1; molWeight 103.145; } thermodynamics @@ -37132,7 +34813,6 @@ ZrO2(III) { specie { - nMoles 1; molWeight 123.219; } thermodynamics @@ -37148,7 +34828,6 @@ C6H13__2M-4yl { specie { - nMoles 1; molWeight 85.1705; } thermodynamics @@ -37164,7 +34843,6 @@ C2H5OH+_Ethanol+ { specie { - nMoles 1; molWeight 46.069; } thermodynamics @@ -37180,7 +34858,6 @@ C9H18_1-nonene { specie { - nMoles 1; molWeight 126.244; } thermodynamics @@ -37196,7 +34873,6 @@ S(b) { specie { - nMoles 1; molWeight 32.064; } thermodynamics @@ -37212,7 +34888,6 @@ Pd+__Paladium__C { specie { - nMoles 1; molWeight 106.399; } thermodynamics @@ -37228,7 +34903,6 @@ C70_FOOTBALLENE { specie { - nMoles 1; molWeight 840.781; } thermodynamics @@ -37244,7 +34918,6 @@ Mg(OH)2 { specie { - nMoles 1; molWeight 58.3267; } thermodynamics @@ -37260,7 +34933,6 @@ H+ { specie { - nMoles 1; molWeight 1.00743; } thermodynamics @@ -37276,7 +34948,6 @@ CH3Hg { specie { - nMoles 1; molWeight 215.625; } thermodynamics @@ -37292,7 +34963,6 @@ C4H7O2_EtAcetat_R { specie { - nMoles 1; molWeight 87.0992; } thermodynamics @@ -37308,7 +34978,6 @@ C2H6-_Ethane_ani { specie { - nMoles 1; molWeight 30.0707; } thermodynamics @@ -37324,7 +34993,6 @@ C3H5O2_Propionic { specie { - nMoles 1; molWeight 73.0721; } thermodynamics diff --git a/src/TurbulenceModels/compressible/turbulentFluidThermoModels/derivedFvPatchFields/thermalBaffle1D/thermalBaffle1DFvPatchScalarField.H b/src/TurbulenceModels/compressible/turbulentFluidThermoModels/derivedFvPatchFields/thermalBaffle1D/thermalBaffle1DFvPatchScalarField.H index 23dedf0b0..af6c701bc 100644 --- a/src/TurbulenceModels/compressible/turbulentFluidThermoModels/derivedFvPatchFields/thermalBaffle1D/thermalBaffle1DFvPatchScalarField.H +++ b/src/TurbulenceModels/compressible/turbulentFluidThermoModels/derivedFvPatchFields/thermalBaffle1D/thermalBaffle1DFvPatchScalarField.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -54,7 +54,6 @@ Usage // Solid thermo specie { - nMoles 1; molWeight 20; } transport diff --git a/src/lagrangian/coalCombustion/Make/options b/src/lagrangian/coalCombustion/Make/options index 04b133ba0..10c855cf4 100644 --- a/src/lagrangian/coalCombustion/Make/options +++ b/src/lagrangian/coalCombustion/Make/options @@ -6,9 +6,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \ @@ -31,9 +29,7 @@ LIB_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lreactionThermophysicalModels \ -lSLGThermo \ -lradiationModels \ diff --git a/src/lagrangian/intermediate/Make/options b/src/lagrangian/intermediate/Make/options index a5a3b3c8e..e1ec44b4b 100644 --- a/src/lagrangian/intermediate/Make/options +++ b/src/lagrangian/intermediate/Make/options @@ -5,9 +5,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \ @@ -26,9 +24,7 @@ LIB_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lreactionThermophysicalModels \ -lSLGThermo \ -lradiationModels \ diff --git a/src/lagrangian/spray/Make/options b/src/lagrangian/spray/Make/options index 3b5a4e72e..51974e3c9 100644 --- a/src/lagrangian/spray/Make/options +++ b/src/lagrangian/spray/Make/options @@ -7,9 +7,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/radiation/lnInclude \ @@ -33,9 +31,7 @@ LIB_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lreactionThermophysicalModels \ -lSLGThermo \ -lradiationModels \ diff --git a/src/lagrangian/turbulence/Make/options b/src/lagrangian/turbulence/Make/options index 7b2fc4bea..825da6fbb 100644 --- a/src/lagrangian/turbulence/Make/options +++ b/src/lagrangian/turbulence/Make/options @@ -6,9 +6,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/radiationModels/lnInclude \ @@ -31,9 +29,7 @@ LIB_LIBS = \ -lcompressibleTransportModels \ -lfluidThermophysicalModels \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lreactionThermophysicalModels \ -lSLGThermo \ -lradiationModels \ diff --git a/src/regionModels/regionCoupling/Make/options b/src/regionModels/regionCoupling/Make/options index 379349b04..90d6d183b 100644 --- a/src/regionModels/regionCoupling/Make/options +++ b/src/regionModels/regionCoupling/Make/options @@ -7,9 +7,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude\ -I$(LIB_SRC)/thermophysicalModels/solidThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/solidChemistryModel/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/solidSpecie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ diff --git a/src/regionModels/surfaceFilmModels/Make/options b/src/regionModels/surfaceFilmModels/Make/options index a0eb4828e..a5311a2cc 100644 --- a/src/regionModels/surfaceFilmModels/Make/options +++ b/src/regionModels/surfaceFilmModels/Make/options @@ -3,9 +3,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ -I$(LIB_SRC)/lagrangian/distributionModels/lnInclude \ @@ -18,9 +16,7 @@ LIB_LIBS = \ -lfluidThermophysicalModels \ -lspecie \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lreactionThermophysicalModels \ -lSLGThermo \ -ldistributionModels \ diff --git a/src/regionModels/surfaceFilmModels/derivedFvPatchFields/wallFunctions/Make/options b/src/regionModels/surfaceFilmModels/derivedFvPatchFields/wallFunctions/Make/options index c736bdc82..8ea8ffa2e 100644 --- a/src/regionModels/surfaceFilmModels/derivedFvPatchFields/wallFunctions/Make/options +++ b/src/regionModels/surfaceFilmModels/derivedFvPatchFields/wallFunctions/Make/options @@ -3,9 +3,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \ @@ -20,9 +18,7 @@ LIB_LIBS = \ -lfluidThermophysicalModels \ -lspecie \ -lliquidProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ - -lsolidMixtureProperties \ -lreactionThermophysicalModels \ -lSLGThermo \ -lturbulenceModels \ diff --git a/src/regionModels/surfaceFilmModels/submodels/kinematic/filmThermoModel/liquidFilmThermo/liquidFilmThermo.C b/src/regionModels/surfaceFilmModels/submodels/kinematic/filmThermoModel/liquidFilmThermo/liquidFilmThermo.C index 824dd5a20..6c511cc54 100644 --- a/src/regionModels/surfaceFilmModels/submodels/kinematic/filmThermoModel/liquidFilmThermo/liquidFilmThermo.C +++ b/src/regionModels/surfaceFilmModels/submodels/kinematic/filmThermoModel/liquidFilmThermo/liquidFilmThermo.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -189,7 +189,7 @@ scalar liquidFilmThermo::kappa const scalar T ) const { - return liquidPtr_->K(p, T); + return liquidPtr_->kappa(p, T); } diff --git a/src/regionModels/thermalBaffleModels/derivedFvPatchFields/thermalBaffle/thermalBaffleFvPatchScalarField.H b/src/regionModels/thermalBaffleModels/derivedFvPatchFields/thermalBaffle/thermalBaffleFvPatchScalarField.H index 0bb7a092c..b29bab13a 100644 --- a/src/regionModels/thermalBaffleModels/derivedFvPatchFields/thermalBaffle/thermalBaffleFvPatchScalarField.H +++ b/src/regionModels/thermalBaffleModels/derivedFvPatchFields/thermalBaffle/thermalBaffleFvPatchScalarField.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -78,7 +78,6 @@ Usage { specie { - nMoles 1; molWeight 20; } transport diff --git a/src/thermophysicalModels/SLGThermo/Make/options b/src/thermophysicalModels/SLGThermo/Make/options index c4f0b2a8a..37e3533de 100644 --- a/src/thermophysicalModels/SLGThermo/Make/options +++ b/src/thermophysicalModels/SLGThermo/Make/options @@ -3,9 +3,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/finiteVolume/lnInclude diff --git a/src/thermophysicalModels/basic/heThermo/heThermo.C b/src/thermophysicalModels/basic/heThermo/heThermo.C index 280b33999..c06ffb75d 100644 --- a/src/thermophysicalModels/basic/heThermo/heThermo.C +++ b/src/thermophysicalModels/basic/heThermo/heThermo.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -456,11 +456,11 @@ Foam::tmp Foam::heThermo::gamma ) const { tmp tgamma(new scalarField(T.size())); - scalarField& cpv = tgamma.ref(); + scalarField& gamma = tgamma.ref(); forAll(T, facei) { - cpv[facei] = + gamma[facei] = this->patchFaceMixture(patchi, facei).gamma(p[facei], T[facei]); } @@ -531,11 +531,11 @@ Foam::tmp Foam::heThermo::Cpv ) const { tmp tCpv(new scalarField(T.size())); - scalarField& cpv = tCpv.ref(); + scalarField& Cpv = tCpv.ref(); forAll(T, facei) { - cpv[facei] = + Cpv[facei] = this->patchFaceMixture(patchi, facei).Cpv(p[facei], T[facei]); } @@ -567,21 +567,21 @@ Foam::heThermo::Cpv() const ) ); - volScalarField& cpv = tCpv.ref(); + volScalarField& Cpv = tCpv.ref(); forAll(this->T_, celli) { - cpv[celli] = + Cpv[celli] = this->cellMixture(celli).Cpv(this->p_[celli], this->T_[celli]); } - volScalarField::Boundary& cpvBf = cpv.boundaryFieldRef(); + volScalarField::Boundary& CpvBf = Cpv.boundaryFieldRef(); - forAll(cpvBf, patchi) + forAll(CpvBf, patchi) { const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; const fvPatchScalarField& pT = this->T_.boundaryField()[patchi]; - fvPatchScalarField& pCpv = cpvBf[patchi]; + fvPatchScalarField& pCpv = CpvBf[patchi]; forAll(pT, facei) { @@ -603,12 +603,12 @@ Foam::tmp Foam::heThermo::CpByCpv ) const { tmp tCpByCpv(new scalarField(T.size())); - scalarField& cpByCpv = tCpByCpv.ref(); + scalarField& CpByCpv = tCpByCpv.ref(); forAll(T, facei) { - cpByCpv[facei] = - this->patchFaceMixture(patchi, facei).cpBycpv(p[facei], T[facei]); + CpByCpv[facei] = + this->patchFaceMixture(patchi, facei).CpByCpv(p[facei], T[facei]); } return tCpByCpv; @@ -639,29 +639,29 @@ Foam::heThermo::CpByCpv() const ) ); - volScalarField& cpByCpv = tCpByCpv.ref(); + volScalarField& CpByCpv = tCpByCpv.ref(); forAll(this->T_, celli) { - cpByCpv[celli] = this->cellMixture(celli).cpBycpv + CpByCpv[celli] = this->cellMixture(celli).CpByCpv ( this->p_[celli], this->T_[celli] ); } - volScalarField::Boundary& cpByCpvBf = - cpByCpv.boundaryFieldRef(); + volScalarField::Boundary& CpByCpvBf = + CpByCpv.boundaryFieldRef(); - forAll(cpByCpvBf, patchi) + forAll(CpByCpvBf, patchi) { const fvPatchScalarField& pp = this->p_.boundaryField()[patchi]; const fvPatchScalarField& pT = this->T_.boundaryField()[patchi]; - fvPatchScalarField& pCpByCpv = cpByCpvBf[patchi]; + fvPatchScalarField& pCpByCpv = CpByCpvBf[patchi]; forAll(pT, facei) { - pCpByCpv[facei] = this->patchFaceMixture(patchi, facei).cpBycpv + pCpByCpv[facei] = this->patchFaceMixture(patchi, facei).CpByCpv ( pp[facei], pT[facei] diff --git a/src/thermophysicalModels/properties/Allwmake b/src/thermophysicalModels/properties/Allwmake index 5ad45938f..0837290b6 100755 --- a/src/thermophysicalModels/properties/Allwmake +++ b/src/thermophysicalModels/properties/Allwmake @@ -5,8 +5,6 @@ cd ${0%/*} || exit 1 # Run from this directory . $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments wmake $targetType liquidProperties -wmake $targetType liquidMixtureProperties wmake $targetType solidProperties -wmake $targetType solidMixtureProperties #------------------------------------------------------------------------------ diff --git a/src/thermophysicalModels/properties/liquidMixtureProperties/Make/files b/src/thermophysicalModels/properties/liquidMixtureProperties/Make/files deleted file mode 100644 index 4f0959cfc..000000000 --- a/src/thermophysicalModels/properties/liquidMixtureProperties/Make/files +++ /dev/null @@ -1,3 +0,0 @@ -liquidMixtureProperties/liquidMixtureProperties.C - -LIB = $(FOAM_LIBBIN)/libliquidMixtureProperties diff --git a/src/thermophysicalModels/properties/liquidMixtureProperties/Make/options b/src/thermophysicalModels/properties/liquidMixtureProperties/Make/options deleted file mode 100644 index 6e1d19dbb..000000000 --- a/src/thermophysicalModels/properties/liquidMixtureProperties/Make/options +++ /dev/null @@ -1,10 +0,0 @@ -EXE_INC = \ - -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/combustion/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude - -LIB_LIBS = \ - -lliquidProperties \ - -lthermophysicalFunctions diff --git a/src/thermophysicalModels/properties/liquidProperties/Ar/Ar.C b/src/thermophysicalModels/properties/liquidProperties/Ar/Ar.C index 8c1b9e044..8a4844a72 100644 --- a/src/thermophysicalModels/properties/liquidProperties/Ar/Ar.C +++ b/src/thermophysicalModels/properties/liquidProperties/Ar/Ar.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -78,8 +78,8 @@ Foam::Ar::Ar() ), mu_(-8.868, 204.3, -0.3831, -1.3e-22, 10.0), mug_(8.386e-07, 0.6175, 75.377, -432.5), - K_(0.1819, -0.0003176, -4.11e-06, 0.0, 0.0, 0.0), - Kg_(0.0001236, 0.8262, -132.8, 16000), + kappa_(0.1819, -0.0003176, -4.11e-06, 0.0, 0.0, 0.0), + kappag_(0.0001236, 0.8262, -132.8, 16000), sigma_(150.86, 0.03823, 1.2927, 0.0, 0.0, 0.0), D_(147.18, 20.1, 39.948, 28) // note: Same as nHeptane {} @@ -113,8 +113,8 @@ Foam::Ar::Ar B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -132,8 +132,8 @@ Foam::Ar::Ar(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -151,8 +151,8 @@ Foam::Ar::Ar(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -170,8 +170,8 @@ Foam::Ar::Ar(const Ar& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/Ar/Ar.H b/src/thermophysicalModels/properties/liquidProperties/Ar/Ar.H index 40b76ae9a..c26405a96 100644 --- a/src/thermophysicalModels/properties/liquidProperties/Ar/Ar.H +++ b/src/thermophysicalModels/properties/liquidProperties/Ar/Ar.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class Ar NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/Ar/ArI.H b/src/thermophysicalModels/properties/liquidProperties/Ar/ArI.H index 89100966e..81b12e118 100644 --- a/src/thermophysicalModels/properties/liquidProperties/Ar/ArI.H +++ b/src/thermophysicalModels/properties/liquidProperties/Ar/ArI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::Ar::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::Ar::K(scalar p, scalar T) const +inline Foam::scalar Foam::Ar::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::Ar::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::Ar::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22.C b/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22.C index 853cb2fe2..6358c3bd4 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22.C +++ b/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C10H22::C10H22() ), mu_(-16.468, 1533.5, 0.7511, 0.0, 0.0), mug_(2.64e-08, 0.9487, 71.0, 0.0), - K_(0.2063, -0.000254, 0.0, 0.0, 0.0, 0.0), - Kg_(-668.4, 0.9323, -4071000000.0, 0.0), + kappa_(0.2063, -0.000254, 0.0, 0.0, 0.0, 0.0), + kappag_(-668.4, 0.9323, -4071000000.0, 0.0), sigma_(617.70, 0.055435, 1.3095, 0.0, 0.0, 0.0), D_(147.18, 20.1, 142.285, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C10H22::C10H22 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C10H22::C10H22(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C10H22::C10H22(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C10H22::C10H22(const C10H22& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22.H b/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22.H index da0272542..bfa91a6a3 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22.H +++ b/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C10H22 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22I.H b/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22I.H index 558516478..e6ea047fc 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C10H22/C10H22I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C10H22::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C10H22::K(scalar p, scalar T) const +inline Foam::scalar Foam::C10H22::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C10H22::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C10H22::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26.C b/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26.C index 4e4c6cf95..54a5124af 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26.C +++ b/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -78,8 +78,8 @@ Foam::C12H26::C12H26() ), mu_(-20.607, 1943, 1.3205, 0.0, 0.0), mug_(6.344e-08, 0.8287, 219.5, 0.0), - K_(0.2047, -0.0002326, 0.0, 0.0, 0.0, 0.0), - Kg_(5.719e-06, 1.4699, 579.4, 0.0), + kappa_(0.2047, -0.0002326, 0.0, 0.0, 0.0, 0.0), + kappag_(5.719e-06, 1.4699, 579.4, 0.0), sigma_(658.0, 0.055493, 1.3262, 0.0, 0.0, 0.0), D_(147.18, 20.1, 170.338, 28.0) // note: Same as nHeptane {} @@ -113,8 +113,8 @@ Foam::C12H26::C12H26 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -132,8 +132,8 @@ Foam::C12H26::C12H26(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -151,8 +151,8 @@ Foam::C12H26::C12H26(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -170,8 +170,8 @@ Foam::C12H26::C12H26(const C12H26& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26.H b/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26.H index e8fc1a2bf..c665f2678 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26.H +++ b/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C12H26 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26I.H b/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26I.H index 0cb385206..5a12631f1 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C12H26/C12H26I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C12H26::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C12H26::K(scalar p, scalar T) const +inline Foam::scalar Foam::C12H26::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C12H26::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C12H26::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28.C b/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28.C index 566edd993..1f9eb06b6 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28.C +++ b/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C13H28::C13H28() ), mu_(-23.341, 2121.9, 1.7208, 0.0, 0.0), mug_(3.5585e-08, 0.8987, 165.3, 0.0), - K_(0.1981, -0.0002046, 0.0, 0.0, 0.0, 0.0), - Kg_(5.3701e-06, 1.4751, 599.09, 0.0), + kappa_(0.1981, -0.0002046, 0.0, 0.0, 0.0, 0.0), + kappag_(5.3701e-06, 1.4751, 599.09, 0.0), sigma_(675.80, 0.05561, 1.3361, 0.0, 0.0, 0.0), D_(147.18, 20.1, 184.365, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C13H28::C13H28 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C13H28::C13H28(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C13H28::C13H28(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C13H28::C13H28(const C13H28& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28.H b/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28.H index de0a261a3..6962ea8a5 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28.H +++ b/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C13H28 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28I.H b/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28I.H index cafc579a8..7f66e5f8d 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C13H28/C13H28I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C13H28::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C13H28::K(scalar p, scalar T) const +inline Foam::scalar Foam::C13H28::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C13H28::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C13H28::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30.C b/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30.C index 3689c0d07..5c0cd60c5 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30.C +++ b/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C14H30::C14H30() ), mu_(-18.964, 2010.9, 1.0648, 0.0, 0.0), mug_(4.4565e-08, 0.8684, 228.16, -4347.2), - K_(0.1957, -0.0001993, 0.0, 0.0, 0.0, 0.0), - Kg_(-0.000628, 0.944, -5490, 0.0), + kappa_(0.1957, -0.0001993, 0.0, 0.0, 0.0, 0.0), + kappag_(-0.000628, 0.944, -5490, 0.0), sigma_(692.40, 0.056436, 1.3658, 0.0, 0.0, 0.0), D_(147.18, 20.1, 198.392, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C14H30::C14H30 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C14H30::C14H30(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C14H30::C14H30(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C14H30::C14H30(const C14H30& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30.H b/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30.H index a3955f6e9..f1ea7dff2 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30.H +++ b/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C14H30 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30I.H b/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30I.H index f0f8a8db4..9a2771e8e 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C14H30/C14H30I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C14H30::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C14H30::K(scalar p, scalar T) const +inline Foam::scalar Foam::C14H30::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C14H30::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C14H30::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34.C b/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34.C index 38640fd60..f583cc271 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34.C +++ b/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C16H34::C16H34() ), mu_(-18.388, 2056.8, 0.98681, 0.0, 0.0), mug_(1.2463e-07, 0.7322, 395.0, 6000.0), - K_(0.1963, -0.00019, 0.0, 0.0, 0.0, 0.0), - Kg_(3.075e-06, 1.552, 678.0, 0.0), + kappa_(0.1963, -0.00019, 0.0, 0.0, 0.0, 0.0), + kappag_(3.075e-06, 1.552, 678.0, 0.0), sigma_(720.60, 0.05699, 1.3929, 0.0, 0.0, 0.0), D_(147.18, 20.1, 226.446, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C16H34::C16H34 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C16H34::C16H34(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C16H34::C16H34(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C16H34::C16H34(const C16H34& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34.H b/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34.H index ac328a82e..e1c39b9a2 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34.H +++ b/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C16H34 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34I.H b/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34I.H index 284638014..bb2970d4b 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C16H34/C16H34I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C16H34::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C16H34::K(scalar p, scalar T) const +inline Foam::scalar Foam::C16H34::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C16H34::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C16H34::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OH.C b/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OH.C index 55a4e1920..ad3a0b167 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OH.C +++ b/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OH.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C2H5OH::C2H5OH() ), mu_(8.049, 776, -3.068, 0.0, 0.0), mug_(1.0613e-07, 0.8066, 52.7, 0.0), - K_(0.253, -0.000281, 0.0, 0.0, 0.0, 0.0), - Kg_(-3.12, 0.7152, -3550000.0, 0.0), + kappa_(0.253, -0.000281, 0.0, 0.0, 0.0, 0.0), + kappag_(-3.12, 0.7152, -3550000.0, 0.0), sigma_(3.7640e-02, -2.1570e-05, -1.025e-07, 0.0, 0.0, 0.0), D_(147.18, 20.1, 46.069, 28) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C2H5OH::C2H5OH B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C2H5OH::C2H5OH(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C2H5OH::C2H5OH(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C2H5OH::C2H5OH(const C2H5OH& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OH.H b/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OH.H index 6a51c1f63..526d7fe49 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OH.H +++ b/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OH.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C2H5OH NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc0 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OHI.H b/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OHI.H index 7fe083d64..968c5bfd6 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OHI.H +++ b/src/thermophysicalModels/properties/liquidProperties/C2H5OH/C2H5OHI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C2H5OH::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C2H5OH::K(scalar p, scalar T) const +inline Foam::scalar Foam::C2H5OH::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C2H5OH::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C2H5OH::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6.C b/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6.C index d755a0109..b118dc310 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6.C +++ b/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,8 +77,8 @@ Foam::C2H6::C2H6() ), mu_(-3.4134, 197.05, -1.2193, -9.2023e-26, 10.0), mug_(2.5906e-07, 0.67988, 98.902, 0.0), - K_(0.35758, -0.0011458, 6.1866e-07, 0.0, 0.0, 0.0), - Kg_(7.3869e-05, 1.1689, 500.73, 0.0), + kappa_(0.35758, -0.0011458, 6.1866e-07, 0.0, 0.0, 0.0), + kappag_(7.3869e-05, 1.1689, 500.73, 0.0), sigma_(305.32, 0.048643, 1.1981, 0.0, 0.0, 0.0), D_(147.18, 20.1, 30.070, 28) // note: Same as nHeptane {} @@ -112,8 +112,8 @@ Foam::C2H6::C2H6 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -131,8 +131,8 @@ Foam::C2H6::C2H6(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -150,8 +150,8 @@ Foam::C2H6::C2H6(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -169,8 +169,8 @@ Foam::C2H6::C2H6(const C2H6& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6.H b/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6.H index 9bfa5e982..74b7f1a01 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6.H +++ b/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C2H6 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6I.H b/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6I.H index f2005a7fc..62901b782 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C2H6/C2H6I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C2H6::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C2H6::K(scalar p, scalar T) const +inline Foam::scalar Foam::C2H6::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C2H6::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C2H6::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6O.C b/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6O.C index 475d6eccb..1a9ba151a 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6O.C +++ b/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6O.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C2H6O::C2H6O() ), mu_(-10.62, 448.99, 8.3967e-05, 0.0, 0.0), mug_(7.27, 0.1091, 440600000, 0.0), - K_(0.31276, -0.0005677, 0.0, 0.0, 0.0, 0.0), - Kg_(0.2247, 0.1026, 997.06, 1762900), + kappa_(0.31276, -0.0005677, 0.0, 0.0, 0.0, 0.0), + kappag_(0.2247, 0.1026, 997.06, 1762900), sigma_(400.10, 0.06096, 1.2286, 0, 0, 0), D_(147.18, 20.1, 46.069, 28) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C2H6O::C2H6O B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C2H6O::C2H6O(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C2H6O::C2H6O(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C2H6O::C2H6O(const C2H6O& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6O.H b/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6O.H index 0bb213167..b85d7273e 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6O.H +++ b/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6O.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C2H6O NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6OI.H b/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6OI.H index 97e2e769e..92ce3483f 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6OI.H +++ b/src/thermophysicalModels/properties/liquidProperties/C2H6O/C2H6OI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C2H6O::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C2H6O::K(scalar p, scalar T) const +inline Foam::scalar Foam::C2H6O::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C2H6O::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C2H6O::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6O.C b/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6O.C index f100dbf2c..d0e3a5c16 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6O.C +++ b/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6O.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C3H6O::C3H6O() ), mu_(-14.918, 1023.4, 0.5961, 0.0, 0.0), mug_(3.1005e-08, 0.9762, 23.139, 0.0), - K_(0.2502, -0.000298, 0.0, 0.0, 0.0, 0.0), - Kg_(-26.8, 0.9098, -126500000, 0.0), + kappa_(0.2502, -0.000298, 0.0, 0.0, 0.0, 0.0), + kappag_(-26.8, 0.9098, -126500000, 0.0), sigma_(508.20, 0.0622, 1.124, 0.0, 0.0, 0.0), D_(147.18, 20.1, 58.08, 28) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C3H6O::C3H6O B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C3H6O::C3H6O(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C3H6O::C3H6O(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C3H6O::C3H6O(const C3H6O& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6O.H b/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6O.H index 47d298f62..3e58a5fb0 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6O.H +++ b/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6O.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C3H6O NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6OI.H b/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6OI.H index e99086a10..2b025bb37 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6OI.H +++ b/src/thermophysicalModels/properties/liquidProperties/C3H6O/C3H6OI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -76,15 +76,15 @@ inline Foam::scalar Foam::C3H6O::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C3H6O::K(scalar p, scalar T) const +inline Foam::scalar Foam::C3H6O::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C3H6O::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C3H6O::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8.C b/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8.C index bb4b2a283..669dd0056 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8.C +++ b/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -76,8 +76,8 @@ Foam::C3H8::C3H8() ), mu_(-6.9281, 420.76, -0.63276, -1.713e-26, 10.0), mug_(2.4993e-07, 0.68612, 179.34, -8254.6), - K_(0.26755, -0.00066457, 2.774e-07, 0.0, 0.0, 0.0), - Kg_(-1.12, 0.10972, -9834.6, -7535800), + kappa_(0.26755, -0.00066457, 2.774e-07, 0.0, 0.0, 0.0), + kappag_(-1.12, 0.10972, -9834.6, -7535800), sigma_(369.83, 0.05092, 1.2197, 0.0, 0.0, 0.0), D_(147.18, 20.1, 44.096, 28) // note: Same as nHeptane {} @@ -111,8 +111,8 @@ Foam::C3H8::C3H8 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -130,8 +130,8 @@ Foam::C3H8::C3H8(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -149,8 +149,8 @@ Foam::C3H8::C3H8(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -168,8 +168,8 @@ Foam::C3H8::C3H8(const C3H8& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8.H b/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8.H index 12a5c67ee..ab345407e 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8.H +++ b/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C3H8 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8I.H b/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8I.H index ce54b116e..627ffee39 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C3H8/C3H8I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C3H8::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C3H8::K(scalar p, scalar T) const +inline Foam::scalar Foam::C3H8::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C3H8::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C3H8::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10O.C b/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10O.C index 06cfa49be..32e217cd4 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10O.C +++ b/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10O.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C4H10O::C4H10O() ), mu_(10.197, -63.8, -3.226, 0.0, 0.0), mug_(1.948e-06, 0.41, 495.8, 0.0), - K_(0.249, -0.0004005, 0.0, 0.0, 0.0, 0.0), - Kg_(-0.0044894, 0.6155, -3266.3, 0.0), + kappa_(0.249, -0.0004005, 0.0, 0.0, 0.0, 0.0), + kappag_(-0.0044894, 0.6155, -3266.3, 0.0), sigma_(466.70, 0.057356, 1.288, 0.0, 0.0, 0.0), D_(147.18, 20.1, 74.123, 28) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C4H10O::C4H10O B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C4H10O::C4H10O(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C4H10O::C4H10O(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C4H10O::C4H10O(const C4H10O& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10O.H b/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10O.H index 833377ae6..c3e04909c 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10O.H +++ b/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10O.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C4H10O NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10OI.H b/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10OI.H index cccec3594..29836f9eb 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10OI.H +++ b/src/thermophysicalModels/properties/liquidProperties/C4H10O/C4H10OI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C4H10O::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C4H10O::K(scalar p, scalar T) const +inline Foam::scalar Foam::C4H10O::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C4H10O::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C4H10O::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14.C b/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14.C index 1dae3fe1b..0aa12512f 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14.C +++ b/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C6H14::C6H14() ), mu_(-20.715, 1207.5, 1.4993, 0.0, 0.0), mug_(1.7514e-07, 0.70737, 157.14, 0.0), - K_(0.22492, -0.0003533, 0.0, 0.0, 0.0, 0.0), - Kg_(-650.5, 0.8053, -1412100000, 0.0), + kappa_(0.22492, -0.0003533, 0.0, 0.0, 0.0, 0.0), + kappag_(-650.5, 0.8053, -1412100000, 0.0), sigma_(507.60, 0.055003, 1.2674, 0.0, 0.0, 0.0), D_(147.18, 20.1, 86.177, 28) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C6H14::C6H14 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C6H14::C6H14(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C6H14::C6H14(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C6H14::C6H14(const C6H14& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14.H b/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14.H index 7034f06cb..574b249b4 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14.H +++ b/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C6H14 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14I.H b/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14I.H index f9b89b427..f88632998 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C6H14/C6H14I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C6H14::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C6H14::K(scalar p, scalar T) const +inline Foam::scalar Foam::C6H14::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C6H14::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C6H14::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6.C b/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6.C index 4163583a3..ff3e040ef 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6.C +++ b/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C6H6::C6H6() ), mu_(6.764, 336.4, -2.687, 0.0, 0.0), mug_(3.134e-08, 0.9676, 7.9, 0.0), - K_(0.2407, -0.0003202, 0.0, 0.0, 0.0, 0.0), - Kg_(1.652e-05, 1.3117, 491, 0.0), + kappa_(0.2407, -0.0003202, 0.0, 0.0, 0.0, 0.0), + kappag_(1.652e-05, 1.3117, 491, 0.0), sigma_(562.16, 0.07195, 1.2389, 0.0, 0.0, 0.0), D_(147.18, 20.1, 78.114, 28) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C6H6::C6H6 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C6H6::C6H6(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C6H6::C6H6(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C6H6::C6H6(const C6H6& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6.H b/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6.H index cc1302778..8f682060c 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6.H +++ b/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C6H6 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6I.H b/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6I.H index 982298a47..7bf345a1f 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C6H6/C6H6I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C6H6::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C6H6::K(scalar p, scalar T) const +inline Foam::scalar Foam::C6H6::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C6H6::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C6H6::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16.C b/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16.C index 349197194..90651a711 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16.C +++ b/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -85,8 +85,8 @@ Foam::C7H16::C7H16() ), mu_(-24.451, 1533.1, 2.0087, 0.0, 0.0), mug_(6.672e-08, 0.82837, 85.752, 0.0), - K_(0.215, -0.000303, 0.0, 0.0, 0.0, 0.0), - Kg_(-0.070028, 0.38068, -7049.9, -2400500.0), + kappa_(0.215, -0.000303, 0.0, 0.0, 0.0, 0.0), + kappag_(-0.070028, 0.38068, -7049.9, -2400500.0), sigma_(540.20, 0.054143, 1.2512, 0.0, 0.0, 0.0), D_(147.18, 20.1, 100.204, 28.0) {} @@ -120,8 +120,8 @@ Foam::C7H16::C7H16 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -139,8 +139,8 @@ Foam::C7H16::C7H16(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -158,8 +158,8 @@ Foam::C7H16::C7H16(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -177,8 +177,8 @@ Foam::C7H16::C7H16(const C7H16& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16.H b/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16.H index 0649b88d1..b8032cd91 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16.H +++ b/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C7H16 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16I.H b/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16I.H index 9631cb4d7..74b13a52c 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C7H16/C7H16I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C7H16::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C7H16::K(scalar p, scalar T) const +inline Foam::scalar Foam::C7H16::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C7H16::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C7H16::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8.C b/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8.C index 698b0acb3..a9026f39d 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8.C +++ b/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C7H8::C7H8() ), mu_(-13.362, 1183, 0.333, 0.0, 0.0), mug_(2.919e-08, 0.9648, 0.0, 0.0), - K_(0.2043, -0.000239, 0.0, 0.0, 0.0, 0.0), - Kg_(2.392e-05, 1.2694, 537, 0.0), + kappa_(0.2043, -0.000239, 0.0, 0.0, 0.0, 0.0), + kappag_(2.392e-05, 1.2694, 537, 0.0), sigma_(591.79, 0.06685, 1.2456, 0.0, 0.0, 0.0), D_(147.18, 20.1, 92.141, 28) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C7H8::C7H8 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C7H8::C7H8(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C7H8::C7H8(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C7H8::C7H8(const C7H8& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8.H b/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8.H index 7835aaca2..7e01f058b 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8.H +++ b/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C7H8 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8I.H b/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8I.H index 32359be9e..b84974e28 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C7H8/C7H8I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C7H8::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C7H8::K(scalar p, scalar T) const +inline Foam::scalar Foam::C7H8::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C7H8::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C7H8::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10.C b/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10.C index 09d76b8af..8c8484270 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10.C +++ b/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C8H10::C8H10() ), mu_(-10.452, 1048.4, -0.0715, 0.0, 0.0), mug_(1.2e-06, 0.4518, 439.0, 0.0), - K_(0.20149, -0.00023988, 0.0, 0.0, 0.0, 0.0), - Kg_(1.708e-05, 1.319, 565.6, 0.0), + kappa_(0.20149, -0.00023988, 0.0, 0.0, 0.0, 0.0), + kappag_(1.708e-05, 1.319, 565.6, 0.0), sigma_(617.17, 0.066, 1.268, 0.0, 0.0, 0.0), D_(147.18, 20.1, 106.167, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C8H10::C8H10 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C8H10::C8H10(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C8H10::C8H10(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C8H10::C8H10(const C8H10& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10.H b/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10.H index 689959ed4..4e36b5429 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10.H +++ b/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -70,8 +70,8 @@ class C8H10 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -152,10 +152,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -182,8 +182,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10I.H b/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10I.H index 2c6a45229..1f2703b7b 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C8H10/C8H10I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C8H10::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C8H10::K(scalar p, scalar T) const +inline Foam::scalar Foam::C8H10::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C8H10::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C8H10::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18.C b/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18.C index 3493b9da1..d50c15e0a 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18.C +++ b/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C8H18::C8H18() ), mu_(-20.463, 1497.4, 1.379, 0.0, 0.0), mug_(3.1191e-08, 0.92925, 55.092, 0.0), - K_(0.2156, -0.00029483, 0.0, 0.0, 0.0, 0.0), - Kg_(-8758, 0.8448, -27121000000.0, 0.0), + kappa_(0.2156, -0.00029483, 0.0, 0.0, 0.0, 0.0), + kappag_(-8758, 0.8448, -27121000000.0, 0.0), sigma_(568.70, 0.052789, 1.2323, 0.0, 0.0, 0.0), D_(147.18, 20.1, 114.231, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C8H18::C8H18 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C8H18::C8H18(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C8H18::C8H18(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C8H18::C8H18(const C8H18& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18.H b/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18.H index acdb0da42..8bd606d1e 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18.H +++ b/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C8H18 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18I.H b/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18I.H index a59cc18b0..c55f1d66d 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C8H18/C8H18I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C8H18::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C8H18::K(scalar p, scalar T) const +inline Foam::scalar Foam::C8H18::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C8H18::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C8H18::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20.C b/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20.C index aae2191b3..4db12992a 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20.C +++ b/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::C9H20::C9H20() ), mu_(-21.149, 1658, 1.454, 0.0, 0.0), mug_(1.0344e-07, 0.77301, 220.47, 0.0), - K_(0.209, -0.000264, 0.0, 0.0, 0.0, 0.0), - Kg_(-0.065771, 0.27198, -3482.3, -1580300.0), + kappa_(0.209, -0.000264, 0.0, 0.0, 0.0, 0.0), + kappag_(-0.065771, 0.27198, -3482.3, -1580300.0), sigma_(594.60, 0.054975, 1.2897, 0.0, 0.0, 0.0), D_(147.18, 20.1, 128.258, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::C9H20::C9H20 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::C9H20::C9H20(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::C9H20::C9H20(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::C9H20::C9H20(const C9H20& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20.H b/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20.H index b4caf6d13..7cd448be5 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20.H +++ b/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class C9H20 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20I.H b/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20I.H index 14ddb9a72..f0bcc0b16 100644 --- a/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20I.H +++ b/src/thermophysicalModels/properties/liquidProperties/C9H20/C9H20I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::C9H20::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::C9H20::K(scalar p, scalar T) const +inline Foam::scalar Foam::C9H20::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::C9H20::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::C9H20::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OH.C b/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OH.C index 3b5701c8e..f656c0bc9 100644 --- a/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OH.C +++ b/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OH.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::CH3OH::CH3OH() ), mu_(-7.288, 1065.3, -0.6657, 0.0, 0.0), mug_(3.0663e-07, 0.69655, 205.0, 0.0), - K_(0.2837, -0.000281, 0.0, 0.0, 0.0, 0.0), - Kg_(-7.763, 1.0279, -74360000.0, 6770000000.0), + kappa_(0.2837, -0.000281, 0.0, 0.0, 0.0, 0.0), + kappag_(-7.763, 1.0279, -74360000.0, 6770000000.0), sigma_(512.58, 0.056, -0.00014583, 1.08e-07, 0.0, 0.0), D_(147.18, 20.1, 32.042, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::CH3OH::CH3OH B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::CH3OH::CH3OH(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::CH3OH::CH3OH(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::CH3OH::CH3OH(const CH3OH& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OH.H b/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OH.H index 50d2e7545..43d9b7acf 100644 --- a/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OH.H +++ b/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OH.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class CH3OH NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OHI.H b/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OHI.H index bfe2eeaed..2b2e3995c 100644 --- a/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OHI.H +++ b/src/thermophysicalModels/properties/liquidProperties/CH3OH/CH3OHI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::CH3OH::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::CH3OH::K(scalar p, scalar T) const +inline Foam::scalar Foam::CH3OH::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::CH3OH::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::CH3OH::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2O.C b/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2O.C index e011b50d8..0e271803e 100644 --- a/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2O.C +++ b/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2O.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2013 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -70,8 +70,8 @@ Foam::CH4N2O::CH4N2O() ), mu_(-51.964, 3670.6, 5.7331, -5.3495e-29, 10.0), mug_(2.6986e-06, 0.498, 1257.7, -19570.0), - K_(-0.4267, 0.0056903, -8.0065e-06, 1.815e-09, 0.0, 0.0), - Kg_(6.977e-05, 1.1243, 844.9, -148850.0), + kappa_(-0.4267, 0.0056903, -8.0065e-06, 1.815e-09, 0.0, 0.0), + kappag_(6.977e-05, 1.1243, 844.9, -148850.0), sigma_(705.0, 1.0, 0.0, 0.0, 0.0, 0.0), // note: set to constant D_(147.18, 20.1, 60.056, 28.0) // note: Same as nHeptane {} @@ -105,8 +105,8 @@ Foam::CH4N2O::CH4N2O B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -124,8 +124,8 @@ Foam::CH4N2O::CH4N2O(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -143,8 +143,8 @@ Foam::CH4N2O::CH4N2O(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -162,8 +162,8 @@ Foam::CH4N2O::CH4N2O(const CH4N2O& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2O.H b/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2O.H index 10246da1c..ceca9fc4e 100644 --- a/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2O.H +++ b/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2O.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -72,8 +72,8 @@ class CH4N2O NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2OI.H b/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2OI.H index f5bf4cb86..89dc6fc67 100644 --- a/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2OI.H +++ b/src/thermophysicalModels/properties/liquidProperties/CH4N2O/CH4N2OI.H @@ -77,15 +77,15 @@ inline Foam::scalar Foam::CH4N2O::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::CH4N2O::K(scalar p, scalar T) const +inline Foam::scalar Foam::CH4N2O::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::CH4N2O::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::CH4N2O::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/H2O/H2O.C b/src/thermophysicalModels/properties/liquidProperties/H2O/H2O.C index 8c570a2a1..fc1c64a5c 100644 --- a/src/thermophysicalModels/properties/liquidProperties/H2O/H2O.C +++ b/src/thermophysicalModels/properties/liquidProperties/H2O/H2O.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -93,8 +93,8 @@ Foam::H2O::H2O() ), mu_(-51.964, 3670.6, 5.7331, -5.3495e-29, 10), mug_(2.6986e-06, 0.498, 1257.7, -19570), - K_(-0.4267, 0.0056903, -8.0065e-06, 1.815e-09, 0, 0), - Kg_(6.977e-05, 1.1243, 844.9, -148850), + kappa_(-0.4267, 0.0056903, -8.0065e-06, 1.815e-09, 0, 0), + kappag_(6.977e-05, 1.1243, 844.9, -148850), sigma_(647.13, 0.18548, 2.717, -3.554, 2.047, 0), D_(15.0, 15.0, 18.015, 28) {} @@ -128,8 +128,8 @@ Foam::H2O::H2O B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -147,29 +147,31 @@ Foam::H2O::H2O(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} Foam::H2O::H2O(const dictionary& dict) -: - liquidProperties(dict), - rho_(dict.subDict("rho")), - pv_(dict.subDict("pv")), - hl_(dict.subDict("hl")), - Cp_(dict.subDict("Cp")), - h_(dict.subDict("h")), - Cpg_(dict.subDict("Cpg")), - B_(dict.subDict("B")), - mu_(dict.subDict("mu")), - mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), - sigma_(dict.subDict("sigma")), - D_(dict.subDict("D")) + : + H2O() +// : +// liquidProperties(dict), +// rho_(dict.subDict("rho")), +// pv_(dict.subDict("pv")), +// hl_(dict.subDict("hl")), +// Cp_(dict.subDict("Cp")), +// h_(dict.subDict("h")), +// Cpg_(dict.subDict("Cpg")), +// B_(dict.subDict("B")), +// mu_(dict.subDict("mu")), +// mug_(dict.subDict("mug")), +// kappa_(dict.subDict("K")), +// kappag_(dict.subDict("kappag")), +// sigma_(dict.subDict("sigma")), +// D_(dict.subDict("D")) {} @@ -185,8 +187,8 @@ Foam::H2O::H2O(const H2O& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/H2O/H2O.H b/src/thermophysicalModels/properties/liquidProperties/H2O/H2O.H index 6852f315c..2b599e186 100644 --- a/src/thermophysicalModels/properties/liquidProperties/H2O/H2O.H +++ b/src/thermophysicalModels/properties/liquidProperties/H2O/H2O.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -70,8 +70,8 @@ class H2O NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -152,10 +152,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -182,8 +182,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/H2O/H2OI.H b/src/thermophysicalModels/properties/liquidProperties/H2O/H2OI.H index a86d4094e..f00d1b7a5 100644 --- a/src/thermophysicalModels/properties/liquidProperties/H2O/H2OI.H +++ b/src/thermophysicalModels/properties/liquidProperties/H2O/H2OI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::H2O::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::H2O::K(scalar p, scalar T) const +inline Foam::scalar Foam::H2O::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::H2O::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::H2O::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18.C b/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18.C index 76fa337dc..fc793c8c7 100644 --- a/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18.C +++ b/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::IC8H18::IC8H18() ), mu_(-15.811, 1282.5, 0.67791, -3.8617e-28, 10.0), mug_(1.107e-07, 0.746, 72.4, 0.0), - K_(0.1508, -0.0001712, 0.0, 0.0, 0.0, 0.0), - Kg_(1.758e-05, 1.3114, 392.9, 0.0), + kappa_(0.1508, -0.0001712, 0.0, 0.0, 0.0, 0.0), + kappag_(1.758e-05, 1.3114, 392.9, 0.0), sigma_(543.96, 0.047434, 1.1975, 0.0, 0.0, 0.0), D_(147.18, 20.1, 114.231, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::IC8H18::IC8H18 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::IC8H18::IC8H18(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::IC8H18::IC8H18(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::IC8H18::IC8H18(const IC8H18& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18.H b/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18.H index 79842a43c..d044ccfaa 100644 --- a/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18.H +++ b/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class IC8H18 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18I.H b/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18I.H index a66fc479f..1c7ce68d3 100644 --- a/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18I.H +++ b/src/thermophysicalModels/properties/liquidProperties/IC8H18/IC8H18I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::IC8H18::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::IC8H18::K(scalar p, scalar T) const +inline Foam::scalar Foam::IC8H18::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::IC8H18::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::IC8H18::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEA.C b/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEA.C index aeaff10fa..fc950df61 100644 --- a/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEA.C +++ b/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEA.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -92,8 +92,8 @@ Foam::IDEA::IDEA() ), mu_(-6.9645853822e+01, 4.4390635942e+03, 8.4680722718e+00, 0.0, 0.0), mug_(4.2629382158e-08, 8.8144402122e-01, 9.6918097636e+01, 0.0), - K_(2.03684e-01, -2.3168e-04, 0.0, 0.0, 0.0, 0.0), - Kg_ + kappa_(2.03684e-01, -2.3168e-04, 0.0, 0.0, 0.0, 0.0), + kappag_ ( -5.664925956707e+02, 8.896721676320e-01, @@ -141,8 +141,8 @@ Foam::IDEA::IDEA B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -160,8 +160,8 @@ Foam::IDEA::IDEA(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -179,8 +179,8 @@ Foam::IDEA::IDEA(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -198,8 +198,8 @@ Foam::IDEA::IDEA(const IDEA& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEA.H b/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEA.H index 9a68cbe16..ec19b1098 100644 --- a/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEA.H +++ b/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEA.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -93,8 +93,8 @@ class IDEA NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -175,10 +175,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -204,8 +204,8 @@ public: Cpg_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEAI.H b/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEAI.H index a5f457109..f3f46378f 100644 --- a/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEAI.H +++ b/src/thermophysicalModels/properties/liquidProperties/IDEA/IDEAI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::IDEA::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::IDEA::K(scalar p, scalar T) const +inline Foam::scalar Foam::IDEA::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::IDEA::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::IDEA::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/MB/MB.C b/src/thermophysicalModels/properties/liquidProperties/MB/MB.C index 3e336b3ba..f2cce3c18 100644 --- a/src/thermophysicalModels/properties/liquidProperties/MB/MB.C +++ b/src/thermophysicalModels/properties/liquidProperties/MB/MB.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -70,8 +70,8 @@ Foam::MB::MB() ), mu_(-12.206, 1141.7, 0.15014, 0.0, 0.0), mug_(3.733e-07, 0.6177, 256.5, 0.0), - K_(0.2298, -0.0003002, 0.0, 0.0, 0.0, 0.0), - Kg_(1333.1, 0.9962, 12317000000.0, 0.0), + kappa_(0.2298, -0.0003002, 0.0, 0.0, 0.0, 0.0), + kappag_(1333.1, 0.9962, 12317000000.0, 0.0), sigma_(554.5, 0.064084, 1.2418, 0.0, 0.0, 0.0), D_(147.18, 20.1, 102.133, 28.0) // note: Same as nHeptane {} @@ -105,8 +105,8 @@ Foam::MB::MB B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -124,8 +124,8 @@ Foam::MB::MB(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -143,8 +143,8 @@ Foam::MB::MB(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -162,8 +162,8 @@ Foam::MB::MB(const MB& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/MB/MB.H b/src/thermophysicalModels/properties/liquidProperties/MB/MB.H index 261551113..2d204bf85 100644 --- a/src/thermophysicalModels/properties/liquidProperties/MB/MB.H +++ b/src/thermophysicalModels/properties/liquidProperties/MB/MB.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class MB NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/MB/MBI.H b/src/thermophysicalModels/properties/liquidProperties/MB/MBI.H index 9ee002bf2..d72c33e79 100644 --- a/src/thermophysicalModels/properties/liquidProperties/MB/MBI.H +++ b/src/thermophysicalModels/properties/liquidProperties/MB/MBI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::MB::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::MB::K(scalar p, scalar T) const +inline Foam::scalar Foam::MB::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::MB::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::MB::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/Make/files b/src/thermophysicalModels/properties/liquidProperties/Make/files index 9b6347d83..47f70772e 100644 --- a/src/thermophysicalModels/properties/liquidProperties/Make/files +++ b/src/thermophysicalModels/properties/liquidProperties/Make/files @@ -1,4 +1,6 @@ liquidProperties/liquidProperties.C +liquidMixtureProperties/liquidMixtureProperties.C + H2O/H2O.C C7H16/C7H16.C C12H26/C12H26.C diff --git a/src/thermophysicalModels/properties/liquidProperties/Make/options b/src/thermophysicalModels/properties/liquidProperties/Make/options index b964b6129..383322f7d 100644 --- a/src/thermophysicalModels/properties/liquidProperties/Make/options +++ b/src/thermophysicalModels/properties/liquidProperties/Make/options @@ -1,5 +1,7 @@ EXE_INC = \ + -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude LIB_LIBS = \ + -lspecie \ -lthermophysicalFunctions diff --git a/src/thermophysicalModels/properties/liquidProperties/N2/N2.C b/src/thermophysicalModels/properties/liquidProperties/N2/N2.C index e3f09d561..3470173d9 100644 --- a/src/thermophysicalModels/properties/liquidProperties/N2/N2.C +++ b/src/thermophysicalModels/properties/liquidProperties/N2/N2.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::N2::N2() ), mu_(32.165, 496.9, 3.9069, -1.08e-21, 10.0), mug_(7.632e-07, 0.58823, 67.75, 0.0), - K_(0.7259, -0.016728, 0.00016215, -5.7605e-07, 0.0, 0.0), - Kg_(0.000351, 0.7652, 25.767, 0.0), + kappa_(0.7259, -0.016728, 0.00016215, -5.7605e-07, 0.0, 0.0), + kappag_(0.000351, 0.7652, 25.767, 0.0), sigma_(126.10, 0.02898, 1.2457, 0.0, 0.0, 0.0), D_(147.18, 20.1, 28.014, 28.0) // note: Same as nHeptane {} @@ -121,8 +121,8 @@ Foam::N2::N2 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::N2::N2(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::N2::N2(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::N2::N2(const N2& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/N2/N2.H b/src/thermophysicalModels/properties/liquidProperties/N2/N2.H index 82ac36b36..77c155d58 100644 --- a/src/thermophysicalModels/properties/liquidProperties/N2/N2.H +++ b/src/thermophysicalModels/properties/liquidProperties/N2/N2.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class N2 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/N2/N2I.H b/src/thermophysicalModels/properties/liquidProperties/N2/N2I.H index 49e8a3faa..bd3c4caf4 100644 --- a/src/thermophysicalModels/properties/liquidProperties/N2/N2I.H +++ b/src/thermophysicalModels/properties/liquidProperties/N2/N2I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::N2::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::N2::K(scalar p, scalar T) const +inline Foam::scalar Foam::N2::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::N2::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::N2::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3.C b/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3.C index e8592ecff..83e9e894f 100644 --- a/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3.C +++ b/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -78,8 +78,8 @@ Foam::aC10H7CH3::aC10H7CH3() ), mu_(-93.6, 5784, 12, 0, 0), mug_(2.5672e-06, 0.3566, 825.54, 0), - K_(0.19758, -0.0001796, 0, 0, 0, 0), - Kg_(0.3911, -0.1051, -213.52, 2318300), + kappa_(0.19758, -0.0001796, 0, 0, 0, 0), + kappag_(0.3911, -0.1051, -213.52, 2318300), sigma_(772.04, 0.076, 1.33, 0, 0, 0), D_(147.18, 20.1, 142.2, 28) // note: Same as nHeptane {} @@ -113,8 +113,8 @@ Foam::aC10H7CH3::aC10H7CH3 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -132,8 +132,8 @@ Foam::aC10H7CH3::aC10H7CH3(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -151,8 +151,8 @@ Foam::aC10H7CH3::aC10H7CH3(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -170,8 +170,8 @@ Foam::aC10H7CH3::aC10H7CH3(const aC10H7CH3& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3.H b/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3.H index 171195d6a..06a25fdca 100644 --- a/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3.H +++ b/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class aC10H7CH3 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3I.H b/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3I.H index e652b5476..6d64a5e4b 100644 --- a/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3I.H +++ b/src/thermophysicalModels/properties/liquidProperties/aC10H7CH3/aC10H7CH3I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::aC10H7CH3::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::aC10H7CH3::K(scalar p, scalar T) const +inline Foam::scalar Foam::aC10H7CH3::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::aC10H7CH3::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::aC10H7CH3::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3.C b/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3.C index db118f430..159b7c9de 100644 --- a/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3.C +++ b/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -78,8 +78,8 @@ Foam::bC10H7CH3::bC10H7CH3() ), mu_(-63.276, 4219, 7.5549, 0.0, 0.0), mug_(2.1791e-06, 0.3717, 712.53, 0.0), - K_(0.1962, -0.00018414, 0.0, 0.0, 0.0, 0.0), - Kg_(0.4477, -0.1282, -345.89, 2340100), + kappa_(0.1962, -0.00018414, 0.0, 0.0, 0.0, 0.0), + kappag_(0.4477, -0.1282, -345.89, 2340100), sigma_(761.0, 0.066442, 1.2634, 0.0, 0.0, 0.0), D_(147.18, 20.1, 142.2, 28) // note: Same as nHeptane {} @@ -113,8 +113,8 @@ Foam::bC10H7CH3::bC10H7CH3 B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -132,8 +132,8 @@ Foam::bC10H7CH3::bC10H7CH3(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -151,8 +151,8 @@ Foam::bC10H7CH3::bC10H7CH3(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -170,8 +170,8 @@ Foam::bC10H7CH3::bC10H7CH3(const bC10H7CH3& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3.H b/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3.H index 28dd844f8..7869b2db5 100644 --- a/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3.H +++ b/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -71,8 +71,8 @@ class bC10H7CH3 NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc6 sigma_; APIdiffCoefFunc D_; @@ -153,10 +153,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -183,8 +183,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3I.H b/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3I.H index c98233072..1ff9ab154 100644 --- a/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3I.H +++ b/src/thermophysicalModels/properties/liquidProperties/bC10H7CH3/bC10H7CH3I.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -77,15 +77,15 @@ inline Foam::scalar Foam::bC10H7CH3::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::bC10H7CH3::K(scalar p, scalar T) const +inline Foam::scalar Foam::bC10H7CH3::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::bC10H7CH3::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::bC10H7CH3::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8O.C b/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8O.C index 3e4925627..48d92becb 100644 --- a/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8O.C +++ b/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8O.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::iC3H8O::iC3H8O() ), mu_(-8.23, 2282.2, -0.98495, 0.0, 0.0), mug_(1.993e-07, 0.7233, 178.0, 0.0), - K_(0.2029, -0.0002278, 0.0, 0.0, 0.0, 0.0), - Kg_(-80.642, -1.4549, -604.42, 0.0), + kappa_(0.2029, -0.0002278, 0.0, 0.0, 0.0, 0.0), + kappag_(-80.642, -1.4549, -604.42, 0.0), sigma_(0.03818, -3.818e-05, -6.51e-08, 0.0, 0.0, 0.0), D_(4.75e-10, 1.75, 0.0, 0.0, 0.0) {} @@ -121,8 +121,8 @@ Foam::iC3H8O::iC3H8O B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::iC3H8O::iC3H8O(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::iC3H8O::iC3H8O(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::iC3H8O::iC3H8O(const iC3H8O& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8O.H b/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8O.H index ce7c43933..8ad465f51 100644 --- a/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8O.H +++ b/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8O.H @@ -70,8 +70,8 @@ class iC3H8O NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc0 sigma_; NSRDSfunc1 D_; @@ -151,10 +151,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -182,8 +182,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8OI.H b/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8OI.H index 9e488d871..7f355196d 100644 --- a/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8OI.H +++ b/src/thermophysicalModels/properties/liquidProperties/iC3H8O/iC3H8OI.H @@ -77,15 +77,15 @@ inline Foam::scalar Foam::iC3H8O::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::iC3H8O::K(scalar p, scalar T) const +inline Foam::scalar Foam::iC3H8O::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::iC3H8O::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::iC3H8O::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/liquidMixtureProperties/liquidMixtureProperties/liquidMixtureProperties.C b/src/thermophysicalModels/properties/liquidProperties/liquidMixtureProperties/liquidMixtureProperties.C similarity index 97% rename from src/thermophysicalModels/properties/liquidMixtureProperties/liquidMixtureProperties/liquidMixtureProperties.C rename to src/thermophysicalModels/properties/liquidProperties/liquidMixtureProperties/liquidMixtureProperties.C index 84c202b85..fd3141517 100644 --- a/src/thermophysicalModels/properties/liquidMixtureProperties/liquidMixtureProperties/liquidMixtureProperties.C +++ b/src/thermophysicalModels/properties/liquidProperties/liquidMixtureProperties/liquidMixtureProperties.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -438,7 +438,7 @@ Foam::scalar Foam::liquidMixtureProperties::mu } -Foam::scalar Foam::liquidMixtureProperties::K +Foam::scalar Foam::liquidMixtureProperties::kappa ( const scalar p, const scalar T, @@ -473,8 +473,8 @@ Foam::scalar Foam::liquidMixtureProperties::K scalar Kij = 2.0 /( - 1.0/properties_[i].K(p, Ti) - + 1.0/properties_[j].K(p, Tj) + 1.0/properties_[i].kappa(p, Ti) + + 1.0/properties_[j].kappa(p, Tj) ); K += phii[i]*phii[j]*Kij; } diff --git a/src/thermophysicalModels/properties/liquidMixtureProperties/liquidMixtureProperties/liquidMixtureProperties.H b/src/thermophysicalModels/properties/liquidProperties/liquidMixtureProperties/liquidMixtureProperties.H similarity index 98% rename from src/thermophysicalModels/properties/liquidMixtureProperties/liquidMixtureProperties/liquidMixtureProperties.H rename to src/thermophysicalModels/properties/liquidProperties/liquidMixtureProperties/liquidMixtureProperties.H index dd276a254..09f37540a 100644 --- a/src/thermophysicalModels/properties/liquidMixtureProperties/liquidMixtureProperties/liquidMixtureProperties.H +++ b/src/thermophysicalModels/properties/liquidProperties/liquidMixtureProperties/liquidMixtureProperties.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -226,7 +226,7 @@ public: //- Estimate thermal conductivity [W/(m K)] // Li's method, Eq. 10-12.27 - 10.12-19 - scalar K + scalar kappa ( const scalar p, const scalar T, diff --git a/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidProperties.C b/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidProperties.C index 57f6e7895..7e0f43c7e 100644 --- a/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidProperties.C +++ b/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidProperties.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -118,50 +118,6 @@ Foam::liquidProperties::liquidProperties(const liquidProperties& liq) // * * * * * * * * * * * * * * * * * Selectors * * * * * * * * * * * * * * * // -Foam::autoPtr Foam::liquidProperties::New(Istream& is) -{ - if (debug) - { - InfoInFunction << "Constructing liquidProperties" << endl; - } - - const word liquidPropertiesType(is); - const word coeffs(is); - - if (coeffs == "defaultCoeffs") - { - ConstructorTable::iterator cstrIter = - ConstructorTablePtr_->find(liquidPropertiesType); - - if (cstrIter == ConstructorTablePtr_->end()) - { - FatalErrorInFunction - << "Unknown liquidProperties type " - << liquidPropertiesType << nl << nl - << "Valid liquidProperties types are:" << nl - << ConstructorTablePtr_->sortedToc() - << abort(FatalError); - } - - return autoPtr(cstrIter()()); - } - else if (coeffs == "coeffs") - { - return autoPtr(new liquidProperties(is)); - } - else - { - FatalErrorInFunction - << "liquidProperties type " << liquidPropertiesType - << ", option " << coeffs << " given" - << ", should be coeffs or defaultCoeffs" - << abort(FatalError); - - return autoPtr(nullptr); - } -} - - Foam::autoPtr Foam::liquidProperties::New ( const dictionary& dict @@ -274,14 +230,14 @@ Foam::scalar Foam::liquidProperties::mug(scalar p, scalar T) const } -Foam::scalar Foam::liquidProperties::K(scalar p, scalar T) const +Foam::scalar Foam::liquidProperties::kappa(scalar p, scalar T) const { NotImplemented; return 0.0; } -Foam::scalar Foam::liquidProperties::Kg(scalar p, scalar T) const +Foam::scalar Foam::liquidProperties::kappag(scalar p, scalar T) const { NotImplemented; return 0.0; diff --git a/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidProperties.H b/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidProperties.H index fa295c97c..5cbfebf26 100644 --- a/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidProperties.H +++ b/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidProperties.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2013 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -161,7 +161,7 @@ public: // Selectors //- Return a pointer to a new liquidProperties created from input - static autoPtr New(Istream& is); + // static autoPtr New(Istream& is); //- Return a pointer to a new liquidProperties created from dictionary static autoPtr New(const dictionary& dict); @@ -179,6 +179,17 @@ public: //- Molecular weight [kg/kmol] inline scalar W() const; + //- No of moles of this species in mixture + // Note Mixing of liquidProperties is not currently supported + // so Y = 1 + inline scalar Y() const; + + //- Is the equation of state is incompressible i.e. rho != f(p) + static const bool incompressible = true; + + //- Is the equation of state is isochoric i.e. rho = const + static const bool isochoric = false; + //- Critical temperature [K] inline scalar Tc() const; @@ -209,25 +220,55 @@ public: //- Solubility parameter [(J/m^3)^(1/2)] inline scalar delta() const; + //- Limit the temperature to be in the range Tlow_ to Thigh_ + inline scalar limit(const scalar T) const; - // Physical property pure virtual functions - //- Liquid rho [kg/m^3] + // Fundamental equation of state properties + + //- Liquid density [kg/m^3] virtual scalar rho(scalar p, scalar T) const; + //- Liquid compressibility rho/p [s^2/m^2] + // Note: currently it is assumed the liquid is incompressible + inline scalar psi(scalar p, scalar T) const; + + //- Return (Cp - Cv) [J/(kg K] + // Note: currently it is assumed the liquid is incompressible + // so CpMCv = 0 + inline scalar CpMCv(scalar p, scalar T) const; + + + // Fundamental thermodynamic properties + + //- Heat capacity at constant pressure [J/(kg K)] + virtual scalar Cp(const scalar p, const scalar T) const; + + //- Absolute Enthalpy [J/kg] + inline scalar Ha(const scalar p, const scalar T) const; + + //- Sensible enthalpy [J/kg] + inline scalar Hs(const scalar p, const scalar T) const; + + //- Chemical enthalpy [J/kg] + inline scalar Hc() const; + + // Entropy [J/(kg K)] + // inline scalar S(const scalar p, const scalar T) const; + + + // Physical properties + //- Vapour pressure [Pa] virtual scalar pv(scalar p, scalar T) const; //- Heat of vapourisation [J/kg] virtual scalar hl(scalar p, scalar T) const; - //- Liquid heat capacity [J/(kg K)] - virtual scalar Cp(scalar p, scalar T) const; - //- Liquid enthalpy [J/kg] - reference to 298.15 K virtual scalar h(scalar p, scalar T) const; - //- Ideal gas heat capacity [J/(kg K)] + //- Vapour heat capacity [J/(kg K)] virtual scalar Cpg(scalar p, scalar T) const; //- Liquid viscosity [Pa s] @@ -237,10 +278,13 @@ public: virtual scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - virtual scalar K(scalar p, scalar T) const; + virtual scalar kappa(scalar p, scalar T) const; + + //- Liquid thermal diffusivity of enthalpy [kg/ms] + inline scalar alphah(const scalar p, const scalar T) const; //- Vapour thermal conductivity [W/(m K)] - virtual scalar Kg(scalar p, scalar T) const; + virtual scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] virtual scalar sigma(scalar p, scalar T) const; diff --git a/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidPropertiesI.H b/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidPropertiesI.H index 865035fe1..61a0b8d5f 100644 --- a/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidPropertiesI.H +++ b/src/thermophysicalModels/properties/liquidProperties/liquidProperties/liquidPropertiesI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -23,12 +23,24 @@ License \*---------------------------------------------------------------------------*/ +inline Foam::scalar Foam::liquidProperties::limit(const scalar T) const +{ + return T; +} + + inline Foam::scalar Foam::liquidProperties::W() const { return W_; } +inline Foam::scalar Foam::liquidProperties::Y() const +{ + return 1; +} + + inline Foam::scalar Foam::liquidProperties::Tc() const { return Tc_; @@ -89,4 +101,40 @@ inline Foam::scalar Foam::liquidProperties::delta() const } +inline Foam::scalar Foam::liquidProperties::psi(scalar p, scalar T) const +{ + return 0; +} + + +inline Foam::scalar Foam::liquidProperties::CpMCv(scalar p, scalar T) const +{ + return 0; +} + + +inline Foam::scalar Foam::liquidProperties::Ha(scalar p, scalar T) const +{ + return h(p, T); +} + + +inline Foam::scalar Foam::liquidProperties::Hs(scalar p, scalar T) const +{ + return h(p, T); +} + + +inline Foam::scalar Foam::liquidProperties::Hc() const +{ + return 0; +} + + +inline Foam::scalar Foam::liquidProperties::alphah(scalar p, scalar T) const +{ + return kappa(p, T)/Cp(p, T); +} + + // ************************************************************************* // diff --git a/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8O.C b/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8O.C index cbbe7714a..2369adffd 100644 --- a/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8O.C +++ b/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8O.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,8 +86,8 @@ Foam::nC3H8O::nC3H8O() ), mu_(0.571, 1521, -2.0894, 0.0, 0.0), mug_(7.942e-07, 0.5491, 415.8, 0.0), - K_(0.204, -0.000169, 0.0, 0.0, 0.0, 0.0), - Kg_(-613.84, 0.7927, -1157400000.0, 0.0), + kappa_(0.204, -0.000169, 0.0, 0.0, 0.0, 0.0), + kappag_(-613.84, 0.7927, -1157400000.0, 0.0), sigma_(0.04533, -6.88e-05, -1.6e-08, 0.0, 0.0, 0.0), D_(4.75e-10, 1.75, 0.0, 0.0, 0.0) // note: same as iC3H8O {} @@ -121,8 +121,8 @@ Foam::nC3H8O::nC3H8O B_(secondVirialCoeff), mu_(dynamicViscosity), mug_(vapourDynamicViscosity), - K_(thermalConductivity), - Kg_(vapourThermalConductivity), + kappa_(thermalConductivity), + kappag_(vapourThermalConductivity), sigma_(surfaceTension), D_(vapourDiffussivity) {} @@ -140,8 +140,8 @@ Foam::nC3H8O::nC3H8O(Istream& is) B_(is), mu_(is), mug_(is), - K_(is), - Kg_(is), + kappa_(is), + kappag_(is), sigma_(is), D_(is) {} @@ -159,8 +159,8 @@ Foam::nC3H8O::nC3H8O(const dictionary& dict) B_(dict.subDict("B")), mu_(dict.subDict("mu")), mug_(dict.subDict("mug")), - K_(dict.subDict("K")), - Kg_(dict.subDict("Kg")), + kappa_(dict.subDict("K")), + kappag_(dict.subDict("kappag")), sigma_(dict.subDict("sigma")), D_(dict.subDict("D")) {} @@ -178,8 +178,8 @@ Foam::nC3H8O::nC3H8O(const nC3H8O& liq) B_(liq.B_), mu_(liq.mu_), mug_(liq.mug_), - K_(liq.K_), - Kg_(liq.Kg_), + kappa_(liq.kappa_), + kappag_(liq.kappag_), sigma_(liq.sigma_), D_(liq.D_) {} diff --git a/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8O.H b/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8O.H index 3f2fcfa99..a55a0e53f 100644 --- a/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8O.H +++ b/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8O.H @@ -70,8 +70,8 @@ class nC3H8O NSRDSfunc4 B_; NSRDSfunc1 mu_; NSRDSfunc2 mug_; - NSRDSfunc0 K_; - NSRDSfunc2 Kg_; + NSRDSfunc0 kappa_; + NSRDSfunc2 kappag_; NSRDSfunc0 sigma_; NSRDSfunc1 D_; @@ -151,10 +151,10 @@ public: inline scalar mug(scalar p, scalar T) const; //- Liquid thermal conductivity [W/(m K)] - inline scalar K(scalar p, scalar T) const; + inline scalar kappa(scalar p, scalar T) const; //- Vapour thermal conductivity [W/(m K)] - inline scalar Kg(scalar p, scalar T) const; + inline scalar kappag(scalar p, scalar T) const; //- Surface tension [N/m] inline scalar sigma(scalar p, scalar T) const; @@ -182,8 +182,8 @@ public: B_.writeData(os); os << nl; mu_.writeData(os); os << nl; mug_.writeData(os); os << nl; - K_.writeData(os); os << nl; - Kg_.writeData(os); os << nl; + kappa_.writeData(os); os << nl; + kappag_.writeData(os); os << nl; sigma_.writeData(os); os << nl; D_.writeData(os); os << endl; } diff --git a/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8OI.H b/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8OI.H index 32f1379fd..89cd732c5 100644 --- a/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8OI.H +++ b/src/thermophysicalModels/properties/liquidProperties/nC3H8O/nC3H8OI.H @@ -77,15 +77,15 @@ inline Foam::scalar Foam::nC3H8O::mug(scalar p, scalar T) const } -inline Foam::scalar Foam::nC3H8O::K(scalar p, scalar T) const +inline Foam::scalar Foam::nC3H8O::kappa(scalar p, scalar T) const { - return K_.f(p, T); + return kappa_.f(p, T); } -inline Foam::scalar Foam::nC3H8O::Kg(scalar p, scalar T) const +inline Foam::scalar Foam::nC3H8O::kappag(scalar p, scalar T) const { - return Kg_.f(p, T); + return kappag_.f(p, T); } diff --git a/src/thermophysicalModels/properties/solidMixtureProperties/Make/files b/src/thermophysicalModels/properties/solidMixtureProperties/Make/files deleted file mode 100644 index e31412ed1..000000000 --- a/src/thermophysicalModels/properties/solidMixtureProperties/Make/files +++ /dev/null @@ -1,3 +0,0 @@ -solidMixtureProperties/solidMixtureProperties.C - -LIB = $(FOAM_LIBBIN)/libsolidMixtureProperties diff --git a/src/thermophysicalModels/properties/solidMixtureProperties/Make/options b/src/thermophysicalModels/properties/solidMixtureProperties/Make/options deleted file mode 100644 index f2d8f809d..000000000 --- a/src/thermophysicalModels/properties/solidMixtureProperties/Make/options +++ /dev/null @@ -1,3 +0,0 @@ -EXE_INC = \ - -I${LIB_SRC}/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude diff --git a/src/thermophysicalModels/properties/solidProperties/Make/files b/src/thermophysicalModels/properties/solidProperties/Make/files index 694c37945..fdd25a7a6 100644 --- a/src/thermophysicalModels/properties/solidProperties/Make/files +++ b/src/thermophysicalModels/properties/solidProperties/Make/files @@ -1,5 +1,6 @@ solidProperties/solidProperties.C solidProperties/solidPropertiesNew.C +solidMixtureProperties/solidMixtureProperties.C ash/ash.C C/C.C diff --git a/src/thermophysicalModels/properties/solidMixtureProperties/solidMixtureProperties/solidMixtureProperties.C b/src/thermophysicalModels/properties/solidProperties/solidMixtureProperties/solidMixtureProperties.C similarity index 97% rename from src/thermophysicalModels/properties/solidMixtureProperties/solidMixtureProperties/solidMixtureProperties.C rename to src/thermophysicalModels/properties/solidProperties/solidMixtureProperties/solidMixtureProperties.C index ee37311f5..ea6c0efbc 100644 --- a/src/thermophysicalModels/properties/solidMixtureProperties/solidMixtureProperties/solidMixtureProperties.C +++ b/src/thermophysicalModels/properties/solidProperties/solidMixtureProperties/solidMixtureProperties.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/properties/solidMixtureProperties/solidMixtureProperties/solidMixtureProperties.H b/src/thermophysicalModels/properties/solidProperties/solidMixtureProperties/solidMixtureProperties.H similarity index 98% rename from src/thermophysicalModels/properties/solidMixtureProperties/solidMixtureProperties/solidMixtureProperties.H rename to src/thermophysicalModels/properties/solidProperties/solidMixtureProperties/solidMixtureProperties.H index ed0aad5bf..2d34f771b 100644 --- a/src/thermophysicalModels/properties/solidMixtureProperties/solidMixtureProperties/solidMixtureProperties.H +++ b/src/thermophysicalModels/properties/solidProperties/solidMixtureProperties/solidMixtureProperties.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/properties/solidProperties/solidProperties/solidProperties.C b/src/thermophysicalModels/properties/solidProperties/solidProperties/solidProperties.C index 7d889fe70..9151ff5da 100644 --- a/src/thermophysicalModels/properties/solidProperties/solidProperties/solidProperties.C +++ b/src/thermophysicalModels/properties/solidProperties/solidProperties/solidProperties.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -48,7 +48,7 @@ Foam::solidProperties::solidProperties : rho_(rho), Cp_(Cp), - K_(K), + kappa_(K), Hf_(Hf), emissivity_(emissivity) {} @@ -58,7 +58,7 @@ Foam::solidProperties::solidProperties(Istream& is) : rho_(readScalar(is)), Cp_(readScalar(is)), - K_(readScalar(is)), + kappa_(readScalar(is)), Hf_(readScalar(is)), emissivity_(readScalar(is)) {} @@ -68,7 +68,7 @@ Foam::solidProperties::solidProperties(const dictionary& dict) : rho_(readScalar(dict.lookup("rho"))), Cp_(readScalar(dict.lookup("Cp"))), - K_(readScalar(dict.lookup("K"))), + kappa_(readScalar(dict.lookup("K"))), Hf_(readScalar(dict.lookup("Hf"))), emissivity_(readScalar(dict.lookup("emissivity"))) {} @@ -78,7 +78,7 @@ Foam::solidProperties::solidProperties(const solidProperties& s) : rho_(s.rho_), Cp_(s.Cp_), - K_(s.K_), + kappa_(s.kappa_), Hf_(s.Hf_), emissivity_(s.emissivity_) {} @@ -90,7 +90,7 @@ void Foam::solidProperties::writeData(Ostream& os) const { os << rho_ << token::SPACE << Cp_ << token::SPACE - << K_ << token::SPACE + << kappa_ << token::SPACE << Hf_ << token::SPACE << emissivity_; } diff --git a/src/thermophysicalModels/properties/solidProperties/solidProperties/solidProperties.H b/src/thermophysicalModels/properties/solidProperties/solidProperties/solidProperties.H index 6ae416d8c..c0acae07e 100644 --- a/src/thermophysicalModels/properties/solidProperties/solidProperties/solidProperties.H +++ b/src/thermophysicalModels/properties/solidProperties/solidProperties/solidProperties.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -70,7 +70,7 @@ class solidProperties scalar Cp_; //- Thermal conductivity [W/(m.K)] - scalar K_; + scalar kappa_; //- Heat of formation [J/kg] scalar Hf_; @@ -168,7 +168,7 @@ public: inline scalar Cp() const; //- Thermal conductivity [W/(m.K)] - inline scalar K() const; + inline scalar kappa() const; //- Heat of formation [J/kg] inline scalar Hf() const; diff --git a/src/thermophysicalModels/properties/solidProperties/solidProperties/solidPropertiesI.H b/src/thermophysicalModels/properties/solidProperties/solidProperties/solidPropertiesI.H index 3910a4f37..e1f3d0f19 100644 --- a/src/thermophysicalModels/properties/solidProperties/solidProperties/solidPropertiesI.H +++ b/src/thermophysicalModels/properties/solidProperties/solidProperties/solidPropertiesI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -39,9 +39,9 @@ inline Foam::scalar Foam::solidProperties::Cp() const } -inline Foam::scalar Foam::solidProperties::K() const +inline Foam::scalar Foam::solidProperties::kappa() const { - return K_; + return kappa_; } diff --git a/src/thermophysicalModels/radiation/Make/options b/src/thermophysicalModels/radiation/Make/options index 726b76e76..3cc7218bd 100644 --- a/src/thermophysicalModels/radiation/Make/options +++ b/src/thermophysicalModels/radiation/Make/options @@ -5,9 +5,7 @@ EXE_INC = \ -I$(LIB_SRC)/thermophysicalModels/solidThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/SLGThermo/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/properties/solidProperties/lnInclude \ - -I$(LIB_SRC)/thermophysicalModels/properties/solidMixtureProperties/lnInclude \ -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \ -I$(LIB_SRC)/finiteVolume/lnInclude \ -I$(LIB_SRC)/meshTools/lnInclude @@ -18,8 +16,6 @@ LIB_LIBS = \ -lspecie \ -lsolidThermo \ -lSLGThermo \ - -lsolidMixtureProperties \ - -lliquidMixtureProperties \ -lsolidProperties \ -lliquidProperties \ -lfiniteVolume \ diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L index bf5e9ac83..5bbf9f0e4 100644 --- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L +++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -121,7 +121,7 @@ startIsotopeMolW {space}"/"{space} isotopeMolW {space}{floatNum}{space}"/"{space} specieName {space}[A-Za-z](([A-Za-z0-9)*+-])|("("[^+]))*{space} -nMoles {space}{floatNum}{space} +Y {space}{floatNum}{space} thermoTemp .{10} @@ -640,7 +640,8 @@ bool finishReaction = false; currentHighT, currentCommonT, highCpCoeffs, - lowCpCoeffs + lowCpCoeffs, + true ), transportDict_.subDict(currentSpecieName) ) @@ -687,7 +688,7 @@ bool finishReaction = false; BEGIN(readReactionKeyword); } -{nMoles} { +{Y} { currentSpecieCoeff.stoichCoeff = atof(YYText()); currentSpecieCoeff.exponent = currentSpecieCoeff.stoichCoeff; } diff --git a/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C index f69cbeca5..4cb6b0eb2 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -48,16 +48,6 @@ Foam::SpecieMixture::SpecieMixture // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // -template -Foam::scalar Foam::SpecieMixture::nMoles -( - const label speciei -) const -{ - return this->getLocalThermo(speciei).nMoles(); -} - - template Foam::scalar Foam::SpecieMixture::W ( diff --git a/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H b/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H index 24f95915a..759f8b692 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H +++ b/src/thermophysicalModels/reactionThermo/mixtures/SpecieMixture/SpecieMixture.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -75,9 +75,6 @@ public: // Per specie properties - //- Number of moles of the given specie [] - virtual scalar nMoles(const label speciei) const; - //- Molecular weight of the given specie [kg/kmol] virtual scalar W(const label speciei) const; diff --git a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H index e814154a9..e23639498 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H +++ b/src/thermophysicalModels/reactionThermo/mixtures/basicSpecieMixture/basicSpecieMixture.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2014-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2014-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -82,9 +82,6 @@ public: // Per specie properties - //- Number of moles of the given specie [] - virtual scalar nMoles(const label speciei) const = 0; - //- Molecular weight of the given specie [kg/kmol] virtual scalar W(const label speciei) const = 0; diff --git a/src/thermophysicalModels/reactionThermo/mixtures/egrMixture/egrMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/egrMixture/egrMixture.C index 7c52bea5d..d5e368ca9 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/egrMixture/egrMixture.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/egrMixture/egrMixture.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -89,9 +89,9 @@ const ThermoType& Foam::egrMixture::mixture scalar pr = 1 - fu - ox; - mixture_ = fu/fuel_.W()*fuel_; - mixture_ += ox/oxidant_.W()*oxidant_; - mixture_ += pr/products_.W()*products_; + mixture_ = fu*fuel_; + mixture_ += ox*oxidant_; + mixture_ += pr*products_; return mixture_; } diff --git a/src/thermophysicalModels/reactionThermo/mixtures/homogeneousMixture/homogeneousMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/homogeneousMixture/homogeneousMixture.C index 7bf2f11ab..4ae9bc10b 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/homogeneousMixture/homogeneousMixture.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/homogeneousMixture/homogeneousMixture.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -75,8 +75,8 @@ const ThermoType& Foam::homogeneousMixture::mixture } else { - mixture_ = b/reactants_.W()*reactants_; - mixture_ += (1 - b)/products_.W()*products_; + mixture_ = b*reactants_; + mixture_ += (1 - b)*products_; return mixture_; } diff --git a/src/thermophysicalModels/reactionThermo/mixtures/inhomogeneousMixture/inhomogeneousMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/inhomogeneousMixture/inhomogeneousMixture.C index 15220cab1..ef7d739f5 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/inhomogeneousMixture/inhomogeneousMixture.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/inhomogeneousMixture/inhomogeneousMixture.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -86,9 +86,9 @@ const ThermoType& Foam::inhomogeneousMixture::mixture scalar ox = 1 - ft - (ft - fu)*stoicRatio().value(); scalar pr = 1 - fu - ox; - mixture_ = fu/fuel_.W()*fuel_; - mixture_ += ox/oxidant_.W()*oxidant_; - mixture_ += pr/products_.W()*products_; + mixture_ = fu*fuel_; + mixture_ += ox*oxidant_; + mixture_ += pr*products_; return mixture_; } diff --git a/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C b/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C index ba651a2b5..bb6d4e041 100644 --- a/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C +++ b/src/thermophysicalModels/reactionThermo/mixtures/multiComponentMixture/multiComponentMixture.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -132,11 +132,11 @@ const ThermoType& Foam::multiComponentMixture::cellMixture const label celli ) const { - mixture_ = Y_[0][celli]/speciesData_[0].W()*speciesData_[0]; + mixture_ = Y_[0][celli]*speciesData_[0]; for (label n=1; n::patchFaceMixture const label facei ) const { - mixture_ = - Y_[0].boundaryField()[patchi][facei] - /speciesData_[0].W()*speciesData_[0]; + mixture_ = Y_[0].boundaryField()[patchi][facei]*speciesData_[0]; for (label n=1; n::mixture scalar ox = 1 - ft - (ft - fu)*stoicRatio().value(); scalar pr = 1 - fu - ox; - mixture_ = fu/fuel_.W()*fuel_; - mixture_ += ox/oxidant_.W()*oxidant_; - mixture_ += pr/products_.W()*products_; + mixture_ = fu*fuel_; + mixture_ += ox*oxidant_; + mixture_ += pr*products_; return mixture_; } diff --git a/src/thermophysicalModels/reactionThermo/psiuReactionThermo/psiuReactionThermos.C b/src/thermophysicalModels/reactionThermo/psiuReactionThermo/psiuReactionThermos.C index 49c462d38..4e9173530 100644 --- a/src/thermophysicalModels/reactionThermo/psiuReactionThermo/psiuReactionThermos.C +++ b/src/thermophysicalModels/reactionThermo/psiuReactionThermo/psiuReactionThermos.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -107,6 +107,19 @@ makeReactionThermo ); +makeReactionThermo +( + psiThermo, + psiuReactionThermo, + heheuPsiThermo, + homogeneousMixture, + constTransport, + absoluteEnthalpy, + janafThermo, + perfectGas, + specie +); + makeReactionThermo ( psiThermo, diff --git a/src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C b/src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C index 27bc73d75..a7431ca20 100644 --- a/src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C +++ b/src/thermophysicalModels/reactionThermo/rhoReactionThermo/rhoReactionThermos.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2013 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -261,7 +261,7 @@ makeReactionMixtureThermo ); - // Multi-component reaction thermo +// Multi-component reaction thermo makeReactionMixtureThermo ( @@ -318,8 +318,6 @@ makeReactionMixtureThermo ); - - // Multi-component thermo for sensible enthalpy makeReactionMixtureThermo diff --git a/src/thermophysicalModels/solidSpecie/transport/const/constAnIsoSolidTransport.H b/src/thermophysicalModels/solidSpecie/transport/const/constAnIsoSolidTransport.H index d7b388ccd..3b75b4ebe 100644 --- a/src/thermophysicalModels/solidSpecie/transport/const/constAnIsoSolidTransport.H +++ b/src/thermophysicalModels/solidSpecie/transport/const/constAnIsoSolidTransport.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -135,9 +135,9 @@ public: inline void operator=(const constAnIsoSolidTransport&); inline void operator+=(const constAnIsoSolidTransport&); - inline void operator-=(const constAnIsoSolidTransport&); - // Friend operators + + // Friend operators friend constAnIsoSolidTransport operator* ( diff --git a/src/thermophysicalModels/solidSpecie/transport/const/constAnIsoSolidTransportI.H b/src/thermophysicalModels/solidSpecie/transport/const/constAnIsoSolidTransportI.H index fabc997a8..60e06fbb4 100644 --- a/src/thermophysicalModels/solidSpecie/transport/const/constAnIsoSolidTransportI.H +++ b/src/thermophysicalModels/solidSpecie/transport/const/constAnIsoSolidTransportI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -113,27 +113,12 @@ inline void Foam::constAnIsoSolidTransport::operator+= const constAnIsoSolidTransport& ct ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); + Y1 /= this->Y(); + scalar Y2 = ct.Y()/this->Y(); - kappa_ = molr1*kappa_ + molr2*ct.kappa_; -} - - -template -inline void Foam::constAnIsoSolidTransport::operator-= -( - const constAnIsoSolidTransport& ct -) -{ - scalar molr1 = this->nMoles(); - - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); - - kappa_ = molr1*kappa_ - molr2*ct.kappa_; + kappa_ = Y1*kappa_ + Y2*ct.kappa_; } diff --git a/src/thermophysicalModels/solidSpecie/transport/const/constIsoSolidTransport.H b/src/thermophysicalModels/solidSpecie/transport/const/constIsoSolidTransport.H index 4439a279f..f290b4288 100644 --- a/src/thermophysicalModels/solidSpecie/transport/const/constIsoSolidTransport.H +++ b/src/thermophysicalModels/solidSpecie/transport/const/constIsoSolidTransport.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -136,7 +136,6 @@ public: inline void operator=(const constIsoSolidTransport&); inline void operator+=(const constIsoSolidTransport&); - inline void operator-=(const constIsoSolidTransport&); // Friend operators diff --git a/src/thermophysicalModels/solidSpecie/transport/const/constIsoSolidTransportI.H b/src/thermophysicalModels/solidSpecie/transport/const/constIsoSolidTransportI.H index 7ee8ee618..45b5f4d29 100644 --- a/src/thermophysicalModels/solidSpecie/transport/const/constIsoSolidTransportI.H +++ b/src/thermophysicalModels/solidSpecie/transport/const/constIsoSolidTransportI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -114,32 +114,16 @@ inline void Foam::constIsoSolidTransport::operator+= const constIsoSolidTransport& ct ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); thermo::operator+=(ct); - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); + Y1 /= this->Y(); + scalar Y2 = ct.Y()/this->Y(); - kappa_ = molr1*kappa_ + molr2*ct.kappa_; + kappa_ = Y1*kappa_ + Y2*ct.kappa_; } -template -inline void Foam::constIsoSolidTransport::operator-= -( - const constIsoSolidTransport& ct -) -{ - scalar molr1 = this->nMoles(); - - thermo::operator-=(ct); - - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); - - kappa_ = molr1*kappa_ - molr2*ct.kappa_; -} - // * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * // diff --git a/src/thermophysicalModels/solidSpecie/transport/exponential/exponentialSolidTransport.H b/src/thermophysicalModels/solidSpecie/transport/exponential/exponentialSolidTransport.H index f8c826764..1d69fdefa 100644 --- a/src/thermophysicalModels/solidSpecie/transport/exponential/exponentialSolidTransport.H +++ b/src/thermophysicalModels/solidSpecie/transport/exponential/exponentialSolidTransport.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -144,7 +144,6 @@ public: inline void operator=(const exponentialSolidTransport&); inline void operator+=(const exponentialSolidTransport&); - inline void operator-=(const exponentialSolidTransport&); // Friend operators diff --git a/src/thermophysicalModels/solidSpecie/transport/exponential/exponentialSolidTransportI.H b/src/thermophysicalModels/solidSpecie/transport/exponential/exponentialSolidTransportI.H index 909106e5d..ec80965b8 100644 --- a/src/thermophysicalModels/solidSpecie/transport/exponential/exponentialSolidTransportI.H +++ b/src/thermophysicalModels/solidSpecie/transport/exponential/exponentialSolidTransportI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -128,31 +128,14 @@ inline void Foam::exponentialSolidTransport::operator+= const exponentialSolidTransport& ct ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); + Y1 /= this->Y(); + scalar Y2 = ct.Y()/this->Y(); - kappa0_ = molr1*kappa0_ + molr2*ct.kappa0_; - n0_ = (molr1*n0_ + molr2*ct.n0_); - Tref_ = (molr1*Tref_ + molr2*ct.Tref_); -} - - -template -inline void Foam::exponentialSolidTransport::operator-= -( - const exponentialSolidTransport& ct -) -{ - scalar molr1 = this->nMoles(); - - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); - - kappa0_ = (molr1*kappa0_ - molr2*ct.kappa0_); - n0_ = (molr1*n0_ - molr2*ct.n0_); - Tref_ = (molr1*Tref_ - molr2*ct.Tref_); + kappa0_ = Y1*kappa0_ + Y2*ct.kappa0_; + n0_ = (Y1*n0_ + Y2*ct.n0_); + Tref_ = (Y1*Tref_ + Y2*ct.Tref_); } diff --git a/src/thermophysicalModels/solidSpecie/transport/polynomial/polynomialSolidTransport.H b/src/thermophysicalModels/solidSpecie/transport/polynomial/polynomialSolidTransport.H index d55a3c673..716284cb1 100644 --- a/src/thermophysicalModels/solidSpecie/transport/polynomial/polynomialSolidTransport.H +++ b/src/thermophysicalModels/solidSpecie/transport/polynomial/polynomialSolidTransport.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -82,13 +82,6 @@ inline polynomialSolidTransport operator+ const polynomialSolidTransport& ); -template -inline polynomialSolidTransport operator- -( - const polynomialSolidTransport&, - const polynomialSolidTransport& -); - template inline polynomialSolidTransport operator* ( @@ -96,13 +89,6 @@ inline polynomialSolidTransport operator* const polynomialSolidTransport& ); -template -inline polynomialSolidTransport operator== -( - const polynomialSolidTransport&, - const polynomialSolidTransport& -); - template Ostream& operator<< ( @@ -202,7 +188,6 @@ public: inline void operator=(const polynomialSolidTransport&); inline void operator+=(const polynomialSolidTransport&); - inline void operator-=(const polynomialSolidTransport&); inline void operator*=(const scalar); @@ -214,24 +199,12 @@ public: const polynomialSolidTransport& ); - friend polynomialSolidTransport operator- - ( - const polynomialSolidTransport&, - const polynomialSolidTransport& - ); - friend polynomialSolidTransport operator* ( const scalar, const polynomialSolidTransport& ); - friend polynomialSolidTransport operator== - ( - const polynomialSolidTransport&, - const polynomialSolidTransport& - ); - // Ostream Operator diff --git a/src/thermophysicalModels/solidSpecie/transport/polynomial/polynomialSolidTransportI.H b/src/thermophysicalModels/solidSpecie/transport/polynomial/polynomialSolidTransportI.H index 45d4e95f4..1a923d490 100644 --- a/src/thermophysicalModels/solidSpecie/transport/polynomial/polynomialSolidTransportI.H +++ b/src/thermophysicalModels/solidSpecie/transport/polynomial/polynomialSolidTransportI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -165,31 +165,14 @@ inline void Foam::polynomialSolidTransport::operator+= const polynomialSolidTransport& pt ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); Thermo::operator+=(pt); - molr1 /= this->nMoles(); - scalar molr2 = pt.nMoles()/this->nMoles(); + Y1 /= this->Y(); + scalar Y2 = pt.Y()/this->Y(); - kappaCoeffs_ = molr1*kappaCoeffs_ + molr2*pt.kappaCoeffs_; -} - - -template -inline void Foam::polynomialSolidTransport::operator-= -( - const polynomialSolidTransport& pt -) -{ - scalar molr1 = this->nMoles(); - - Thermo::operator-=(pt); - - molr1 /= this->nMoles(); - scalar molr2 = pt.nMoles()/this->nMoles(); - - kappaCoeffs_ = molr1*kappaCoeffs_ - molr2*pt.kappaCoeffs_; + kappaCoeffs_ = Y1*kappaCoeffs_ + Y2*pt.kappaCoeffs_; } @@ -217,36 +200,13 @@ inline Foam::polynomialSolidTransport Foam::operator+ static_cast(pt1) + static_cast(pt2) ); - scalar molr1 = pt1.nMoles()/t.nMoles(); - scalar molr2 = pt2.nMoles()/t.nMoles(); + scalar Y1 = pt1.Y()/t.Y(); + scalar Y2 = pt2.Y()/t.Y(); return polynomialSolidTransport ( t, - molr1*pt1.kappaCoeffs_ + molr2*pt2.kappaCoeffs_ - ); -} - - -template -inline Foam::polynomialSolidTransport Foam::operator- -( - const polynomialSolidTransport& pt1, - const polynomialSolidTransport& pt2 -) -{ - Thermo t - ( - static_cast(pt1) - static_cast(pt2) - ); - - scalar molr1 = pt1.nMoles()/t.nMoles(); - scalar molr2 = pt2.nMoles()/t.nMoles(); - - return polynomialSolidTransport - ( - t, - molr1*pt1.kappaCoeffs_ - molr2*pt2.kappaCoeffs_ + Y1*pt1.kappaCoeffs_ + Y2*pt2.kappaCoeffs_ ); } @@ -266,15 +226,4 @@ inline Foam::polynomialSolidTransport Foam::operator* } -template -inline Foam::polynomialSolidTransport Foam::operator== -( - const polynomialSolidTransport& pt1, - const polynomialSolidTransport& pt2 -) -{ - return pt2 - pt1; -} - - // ************************************************************************* // diff --git a/src/thermophysicalModels/specie/equationOfState/Boussinesq/Boussinesq.C b/src/thermophysicalModels/specie/equationOfState/Boussinesq/Boussinesq.C index b37ec2f9d..12286d13f 100644 --- a/src/thermophysicalModels/specie/equationOfState/Boussinesq/Boussinesq.C +++ b/src/thermophysicalModels/specie/equationOfState/Boussinesq/Boussinesq.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2015-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/specie/equationOfState/Boussinesq/Boussinesq.H b/src/thermophysicalModels/specie/equationOfState/Boussinesq/Boussinesq.H index a388cbddc..720483c07 100644 --- a/src/thermophysicalModels/specie/equationOfState/Boussinesq/Boussinesq.H +++ b/src/thermophysicalModels/specie/equationOfState/Boussinesq/Boussinesq.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2015-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2015-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -59,13 +59,6 @@ inline Boussinesq operator+ const Boussinesq& ); -template -inline Boussinesq operator- -( - const Boussinesq&, - const Boussinesq& -); - template inline Boussinesq operator* ( @@ -173,14 +166,14 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; @@ -188,8 +181,8 @@ public: //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -202,8 +195,6 @@ public: inline void operator=(const Boussinesq&); inline void operator+=(const Boussinesq&); - inline void operator-=(const Boussinesq&); - inline void operator*=(const scalar); @@ -215,12 +206,6 @@ public: const Boussinesq& ); - friend Boussinesq operator- - ( - const Boussinesq&, - const Boussinesq& - ); - friend Boussinesq operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/Boussinesq/BoussinesqI.H b/src/thermophysicalModels/specie/equationOfState/Boussinesq/BoussinesqI.H index 2d6898473..45b9d58cf 100644 --- a/src/thermophysicalModels/specie/equationOfState/Boussinesq/BoussinesqI.H +++ b/src/thermophysicalModels/specie/equationOfState/Boussinesq/BoussinesqI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2015-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2015-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -121,21 +121,21 @@ inline Foam::scalar Foam::Boussinesq::rho template -inline Foam::scalar Foam::Boussinesq::h(scalar p, scalar T) const +inline Foam::scalar Foam::Boussinesq::H(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::Boussinesq::cp(scalar p, scalar T) const +inline Foam::scalar Foam::Boussinesq::Cp(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::Boussinesq::s +inline Foam::scalar Foam::Boussinesq::S ( scalar p, scalar T @@ -168,13 +168,13 @@ inline Foam::scalar Foam::Boussinesq::Z template -inline Foam::scalar Foam::Boussinesq::cpMcv +inline Foam::scalar Foam::Boussinesq::CpMCv ( scalar p, scalar T ) const { - return RR; + return this->R(); } @@ -200,27 +200,18 @@ inline void Foam::Boussinesq::operator+= const Boussinesq& b ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); Specie::operator+=(b); - molr1 /= this->nMoles(); - scalar molr2 = b.nMoles()/this->nMoles(); - rho0_ = molr1*rho0_ + molr2*b.rho0_; - T0_ = molr1*T0_ + molr2*b.T0_; - beta_ = molr1*beta_ + molr2*b.beta_; -} + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = b.Y()/this->Y(); - -template -inline void Foam::Boussinesq::operator-= -( - const Boussinesq& b -) -{ - Specie::operator-=(b); - rho0_ = b.rho0_; - T0_ = b.T0_; - beta_ = b.beta_; + rho0_ = Y1*rho0_ + Y2*b.rho0_; + T0_ = Y1*T0_ + Y2*b.T0_; + beta_ = Y1*beta_ + Y2*b.beta_; + } } @@ -240,36 +231,31 @@ inline Foam::Boussinesq Foam::operator+ const Boussinesq& b2 ) { - scalar nMoles = b1.nMoles() + b2.nMoles(); - scalar molr1 = b1.nMoles()/nMoles; - scalar molr2 = b2.nMoles()/nMoles; + Specie sp(static_cast(b1) + static_cast(b2)); - return Boussinesq - ( - static_cast(b1) - + static_cast(b2), - molr1*b1.rho0_ + molr2*b2.rho0_, - molr1*b1.T0_ + molr2*b2.T0_, - molr1*b1.beta_ + molr2*b2.beta_ - ); -} + if (mag(sp.Y()) < SMALL) + { + return Boussinesq + ( + sp, + b1.rho0_, + b1.T0_, + b1.beta_ + ); + } + else + { + const scalar Y1 = b1.Y()/sp.Y(); + const scalar Y2 = b2.Y()/sp.Y(); - -template -inline Foam::Boussinesq Foam::operator- -( - const Boussinesq& b1, - const Boussinesq& b2 -) -{ - return Boussinesq - ( - static_cast(b1) - - static_cast(b2), - b1.rho0_ - b2.rho0_, - b1.T0_ - b2.T0_, - b1.beta_ - b2.beta_ - ); + return Boussinesq + ( + sp, + Y1*b1.rho0_ + Y2*b2.rho0_, + Y1*b1.T0_ + Y2*b2.T0_, + Y1*b1.beta_ + Y2*b2.beta_ + ); + } } @@ -293,11 +279,22 @@ inline Foam::Boussinesq Foam::operator* template inline Foam::Boussinesq Foam::operator== ( - const Boussinesq& pg1, - const Boussinesq& pg2 + const Boussinesq& b1, + const Boussinesq& b2 ) { - return pg2 - pg1; + Specie sp(static_cast(b1) == static_cast(b2)); + + const scalar Y1 = b1.Y()/sp.Y(); + const scalar Y2 = b2.Y()/sp.Y(); + + return Boussinesq + ( + sp, + Y2*b2.rho0_ - Y1*b1.rho0_, + Y2*b2.T0_ - Y1*b1.T0_, + Y2*b2.beta_ - Y1*b1.beta_ + ); } diff --git a/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGas.C b/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGas.C index a36766ade..eeaa0a2ce 100644 --- a/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGas.C +++ b/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGas.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2014-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2014-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGas.H b/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGas.H index 49e1445c4..3f0498bb5 100644 --- a/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGas.H +++ b/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGas.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2014-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2014-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -54,13 +54,6 @@ inline PengRobinsonGas operator+ const PengRobinsonGas& ); -template -inline PengRobinsonGas operator- -( - const PengRobinsonGas&, - const PengRobinsonGas& -); - template inline PengRobinsonGas operator* ( @@ -168,23 +161,23 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; - //- Return compression factor [-] + //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -195,8 +188,6 @@ public: // Member operators inline void operator+=(const PengRobinsonGas&); - inline void operator-=(const PengRobinsonGas&); - inline void operator*=(const scalar); @@ -208,12 +199,6 @@ public: const PengRobinsonGas& ); - friend PengRobinsonGas operator- - ( - const PengRobinsonGas&, - const PengRobinsonGas& - ); - friend PengRobinsonGas operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGasI.H b/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGasI.H index dc2ed305b..d4553eb38 100644 --- a/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGasI.H +++ b/src/thermophysicalModels/specie/equationOfState/PengRobinsonGas/PengRobinsonGasI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2014-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2014-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -111,24 +111,25 @@ inline Foam::scalar Foam::PengRobinsonGas::rho scalar T ) const { - scalar Z = this->Z(p, T); + const scalar Z = this->Z(p, T); return p/(Z*this->R()*T); } template -inline Foam::scalar Foam::PengRobinsonGas::h(scalar p, scalar T) const +inline Foam::scalar Foam::PengRobinsonGas::H(scalar p, scalar T) const { - scalar Pr = p/Pc_; - scalar Tr = T/Tc_; - scalar B = 0.07780*Pr/Tr; - scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); - scalar alpha = sqr(1 + kappa*(1 - sqrt(Tr))); + const scalar Pr = p/Pc_; + const scalar Tr = T/Tc_; + const scalar B = 0.07780*Pr/Tr; + const scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); + const scalar alpha = sqr(1 + kappa*(1 - sqrt(Tr))); - scalar Z = this->Z(p, T); + const scalar Z = this->Z(p, T); return - RR*Tc_ + this->R() + *Tc_ *( Tr*(Z - 1) - 2.078*(1 + kappa)*sqrt(alpha) @@ -138,55 +139,59 @@ inline Foam::scalar Foam::PengRobinsonGas::h(scalar p, scalar T) const template -inline Foam::scalar Foam::PengRobinsonGas::cp(scalar p, scalar T) const +inline Foam::scalar Foam::PengRobinsonGas::Cp(scalar p, scalar T) const { - scalar Tr = T/Tc_; - scalar a = 0.45724*sqr(RR*Tc_)/Pc_; - scalar b = 0.07780*RR*Tc_/Pc_; - scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); - scalar alpha = sqr(1 + kappa*(1 - sqrt(Tr))); + const scalar Tr = T/Tc_; + const scalar a = 0.45724*sqr(RR*Tc_)/Pc_; + const scalar b = 0.07780*RR*Tc_/Pc_; + const scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); + const scalar alpha = sqr(1 + kappa*(1 - sqrt(Tr))); - scalar A = a*alpha*p/sqr(RR*T); - scalar B = b*p/(RR*T); + const scalar A = a*alpha*p/sqr(RR*T); + const scalar B = b*p/(RR*T); - scalar Z = this->Z(p, T); + const scalar Z = this->Z(p, T); - scalar ap = kappa*a*(kappa/Tc_ - (1 + kappa)/sqrt(T*Tc_)); - scalar app = kappa*a*(1 + kappa)/(2*sqrt(pow3(T)*Tc_)); + const scalar ap = kappa*a*(kappa/Tc_ - (1 + kappa)/sqrt(T*Tc_)); + const scalar app = kappa*a*(1 + kappa)/(2*sqrt(pow3(T)*Tc_)); - scalar M = (sqr(Z) + 2*B*Z - sqr(B))/(Z - B); - scalar N = ap*B/(b*RR); + const scalar M = (sqr(Z) + 2*B*Z - sqr(B))/(Z - B); + const scalar N = ap*B/(b*RR); const scalar root2 = sqrt(2.0); return + ( app*(T/(2*root2*b))*log((Z + (root2 + 1)*B)/(Z - (root2 - 1)*B)) + RR*sqr(M - N)/(sqr(M) - 2*A*(Z + B)) - - RR; + - RR + )/this->W(); } template -inline Foam::scalar Foam::PengRobinsonGas::s +inline Foam::scalar Foam::PengRobinsonGas::S ( scalar p, scalar T ) const { - scalar Pr = p/Pc_; - scalar Tr = T/Tc_; - scalar B = 0.07780*Pr/Tr; - scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); + const scalar Pr = p/Pc_; + const scalar Tr = T/Tc_; + const scalar B = 0.07780*Pr/Tr; + const scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); - scalar Z = this->Z(p, T); + const scalar Z = this->Z(p, T); return - - RR*log(p/Pstd) - + RR + this->R() *( - log(Z - B) - - 2.078*kappa*((1 + kappa)/sqrt(Tr) - kappa) - *log((Z + 2.414*B)/(Z - 0.414*B)) + - log(p/Pstd) + + ( + log(Z - B) + - 2.078*kappa*((1 + kappa)/sqrt(Tr) - kappa) + *log((Z + 2.414*B)/(Z - 0.414*B)) + ) ); } @@ -198,7 +203,7 @@ inline Foam::scalar Foam::PengRobinsonGas::psi scalar T ) const { - scalar Z = this->Z(p, T); + const scalar Z = this->Z(p, T); return 1.0/(Z*this->R()*T); } @@ -211,42 +216,44 @@ inline Foam::scalar Foam::PengRobinsonGas::Z scalar T ) const { - scalar Tr = T/Tc_; - scalar a = 0.45724*sqr(RR*Tc_)/Pc_; - scalar b = 0.07780*RR*Tc_/Pc_; - scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); - scalar alpha = sqr(1 + kappa*(1 - sqrt(Tr))); + const scalar Tr = T/Tc_; + const scalar a = 0.45724*sqr(RR*Tc_)/Pc_; + const scalar b = 0.07780*RR*Tc_/Pc_; + const scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); + const scalar alpha = sqr(1 + kappa*(1 - sqrt(Tr))); - scalar A = a*alpha*p/sqr(RR*T); - scalar B = b*p/(RR*T); + const scalar A = a*alpha*p/sqr(RR*T); + const scalar B = b*p/(RR*T); - scalar a2 = B - 1; - scalar a1 = A - 2*B - 3*sqr(B); - scalar a0 = -A*B + sqr(B) + pow3(B); + const scalar a2 = B - 1; + const scalar a1 = A - 2*B - 3*sqr(B); + const scalar a0 = -A*B + sqr(B) + pow3(B); - scalar Q = (3*a1 - a2*a2)/9.0; - scalar Rl = (9*a2*a1 - 27*a0 - 2*a2*a2*a2)/54.0; + const scalar Q = (3*a1 - a2*a2)/9.0; + const scalar Rl = (9*a2*a1 - 27*a0 - 2*a2*a2*a2)/54.0; - scalar Q3 = Q*Q*Q; - scalar D = Q3 + Rl*Rl; + const scalar Q3 = Q*Q*Q; + const scalar D = Q3 + Rl*Rl; scalar root = -1; if (D <= 0) { - scalar th = ::acos(Rl/sqrt(-Q3)); - scalar qm = 2*sqrt(-Q); - scalar r1 = qm*cos(th/3.0) - a2/3.0; - scalar r2 = qm*cos((th + 2*constant::mathematical::pi)/3.0) - a2/3.0; - scalar r3 = qm*cos((th + 4*constant::mathematical::pi)/3.0) - a2/3.0; + const scalar th = ::acos(Rl/sqrt(-Q3)); + const scalar qm = 2*sqrt(-Q); + const scalar r1 = qm*cos(th/3.0) - a2/3.0; + const scalar r2 = + qm*cos((th + 2*constant::mathematical::pi)/3.0) - a2/3.0; + const scalar r3 = + qm*cos((th + 4*constant::mathematical::pi)/3.0) - a2/3.0; root = max(r1, max(r2, r3)); } else { // One root is real - scalar D05 = sqrt(D); - scalar S = pow(Rl + D05, 1.0/3.0); + const scalar D05 = sqrt(D); + const scalar S = pow(Rl + D05, 1.0/3.0); scalar Tl = 0; if (D05 > Rl) { @@ -265,28 +272,28 @@ inline Foam::scalar Foam::PengRobinsonGas::Z template -inline Foam::scalar Foam::PengRobinsonGas::cpMcv +inline Foam::scalar Foam::PengRobinsonGas::CpMCv ( scalar p, scalar T ) const { - scalar Tr = T/Tc_; - scalar a = 0.45724*sqr(RR*Tc_)/Pc_; - scalar b = 0.07780*RR*Tc_/Pc_; - scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); - scalar alpha = sqr(1 + kappa*(1 - sqrt(Tr))); + const scalar Tr = T/Tc_; + const scalar a = 0.45724*sqr(RR*Tc_)/Pc_; + const scalar b = 0.07780*RR*Tc_/Pc_; + const scalar kappa = 0.37464 + 1.54226*omega_ - 0.26992*sqr(omega_); + const scalar alpha = sqr(1 + kappa*(1 - sqrt(Tr))); - scalar A = alpha*a*p/sqr(RR*T); - scalar B = b*p/(RR*T); + const scalar A = alpha*a*p/sqr(RR*T); + const scalar B = b*p/(RR*T); - scalar Z = this->Z(p, T); + const scalar Z = this->Z(p, T); - scalar ap = kappa*a*(kappa/Tc_ - (1 + kappa)/sqrt(T*Tc_)); - scalar M = (sqr(Z) + 2*B*Z - sqr(B))/(Z - B); - scalar N = ap*B/(b*RR); + const scalar ap = kappa*a*(kappa/Tc_ - (1 + kappa)/sqrt(T*Tc_)); + const scalar M = (sqr(Z) + 2*B*Z - sqr(B))/(Z - B); + const scalar N = ap*B/(b*RR); - return RR*sqr(M - N)/(sqr(M) - 2*A*(Z + B)); + return this->R()*sqr(M - N)/(sqr(M) - 2*A*(Z + B)); } @@ -298,38 +305,20 @@ inline void Foam::PengRobinsonGas::operator+= const PengRobinsonGas& pg ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); Specie::operator+=(pg); - molr1 /= this->nMoles(); - scalar molr2 = pg.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = pg.Y()/this->Y(); - Tc_ = molr1*Tc_ + molr2*pg.Tc_; - Vc_ = molr1*Vc_ + molr2*pg.Vc_; - Zc_ = molr1*Zc_ + molr2*pg.Zc_; - Pc_ = RR*Zc_*Tc_/Vc_; - omega_ = molr1*omega_ + molr2*pg.omega_; -} - - -template -inline void Foam::PengRobinsonGas::operator-= -( - const PengRobinsonGas& pg -) -{ - scalar molr1 = this->nMoles(); - - Specie::operator-=(pg); - - molr1 /= this->nMoles(); - scalar molr2 = pg.nMoles()/this->nMoles(); - - Tc_ = molr1*Tc_ - molr2*pg.Tc_; - Vc_ = molr1*Vc_ - molr2*pg.Vc_; - Zc_ = molr1*Zc_ - molr2*pg.Zc_; - Pc_ = RR*Zc_*Tc_/Vc_; - omega_ = molr1*omega_ - molr2*pg.omega_; + Tc_ = Y1*Tc_ + Y2*pg.Tc_; + Vc_ = Y1*Vc_ + Y2*pg.Vc_; + Zc_ = Y1*Zc_ + Y2*pg.Zc_; + Pc_ = RR*Zc_*Tc_/Vc_; + omega_ = Y1*omega_ + Y2*pg.omega_; + } } @@ -350,52 +339,43 @@ Foam::PengRobinsonGas Foam::operator+ const PengRobinsonGas& pg2 ) { - scalar nMoles = pg1.nMoles() + pg2.nMoles(); - scalar molr1 = pg1.nMoles()/nMoles; - scalar molr2 = pg2.nMoles()/nMoles; - - const scalar Tc = molr1*pg1.Tc_ + molr2*pg2.Tc_; - const scalar Vc = molr1*pg1.Vc_ + molr2*pg2.Vc_; - const scalar Zc = molr1*pg1.Zc_ + molr2*pg2.Zc_; - - return PengRobinsonGas + Specie sp ( static_cast(pg1) - + static_cast(pg2), - Tc, - Vc, - Zc, - RR*Zc*Tc/Vc, - molr1*pg1.omega_ + molr2*pg2.omega_ + + static_cast(pg2) ); -} + if (mag(sp.Y()) < SMALL) + { + return PengRobinsonGas + ( + sp, + pg1.Tc_, + pg1.Vc_, + pg1.Zc_, + pg1.Pc_, + pg1.omega_ + ); + } + else + { + const scalar Y1 = pg1.Y()/sp.Y(); + const scalar Y2 = pg2.Y()/sp.Y(); -template -Foam::PengRobinsonGas Foam::operator- -( - const PengRobinsonGas& pg1, - const PengRobinsonGas& pg2 -) -{ - scalar nMoles = pg1.nMoles() + pg2.nMoles(); - scalar molr1 = pg1.nMoles()/nMoles; - scalar molr2 = pg2.nMoles()/nMoles; + const scalar Tc = Y1*pg1.Tc_ + Y2*pg2.Tc_; + const scalar Vc = Y1*pg1.Vc_ + Y2*pg2.Vc_; + const scalar Zc = Y1*pg1.Zc_ + Y2*pg2.Zc_; - const scalar Tc = molr1*pg1.Tc_ + molr2*pg2.Tc_; - const scalar Vc = molr1*pg1.Vc_ + molr2*pg2.Vc_; - const scalar Zc = molr1*pg1.Zc_ + molr2*pg2.Zc_; - - return PengRobinsonGas - ( - static_cast(pg1) - - static_cast(pg2), - Tc, - Vc, - Zc, - RR*Zc*Tc/Vc, - molr1*pg1.omega_ - molr2*pg2.omega_ - ); + return PengRobinsonGas + ( + sp, + Tc, + Vc, + Zc, + RR*Zc*Tc/Vc, + Y1*pg1.omega_ + Y2*pg2.omega_ + ); + } } @@ -425,7 +405,28 @@ Foam::PengRobinsonGas Foam::operator== const PengRobinsonGas& pg2 ) { - return pg2 - pg1; + Specie sp + ( + static_cast(pg1) + == static_cast(pg2) + ); + + const scalar Y1 = pg1.Y()/sp.Y(); + const scalar Y2 = pg2.Y()/sp.Y(); + + const scalar Tc = Y2*pg2.Tc_ - Y1*pg1.Tc_; + const scalar Vc = Y2*pg2.Vc_ - Y1*pg1.Vc_; + const scalar Zc = Y2*pg2.Zc_ - Y1*pg1.Zc_; + + return PengRobinsonGas + ( + sp, + Tc, + Vc, + Zc, + RR*Zc*Tc/Vc, + Y2*pg2.omega_ - Y1*pg1.omega_ + ); } diff --git a/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluid.C b/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluid.C index 5d35425cc..a8609cb7a 100644 --- a/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluid.C +++ b/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluid.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluid.H b/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluid.H index 342e6b3bb..f22275cf9 100644 --- a/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluid.H +++ b/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluid.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -25,7 +25,7 @@ Class Foam::adiabaticPerfectFluid Description - AdiabaticPerfect gas equation of state. + Adiabatic perfect fluid equation of state. SourceFiles adiabaticPerfectFluidI.H @@ -54,13 +54,6 @@ inline adiabaticPerfectFluid operator+ const adiabaticPerfectFluid& ); -template -inline adiabaticPerfectFluid operator- -( - const adiabaticPerfectFluid&, - const adiabaticPerfectFluid& -); - template inline adiabaticPerfectFluid operator* ( @@ -167,14 +160,14 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; @@ -182,8 +175,8 @@ public: //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -195,8 +188,6 @@ public: // Member operators inline void operator+=(const adiabaticPerfectFluid&); - inline void operator-=(const adiabaticPerfectFluid&); - inline void operator*=(const scalar); @@ -208,12 +199,6 @@ public: const adiabaticPerfectFluid& ); - friend adiabaticPerfectFluid operator- - ( - const adiabaticPerfectFluid&, - const adiabaticPerfectFluid& - ); - friend adiabaticPerfectFluid operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluidI.H b/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluidI.H index 87adcdad2..c6275c990 100644 --- a/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluidI.H +++ b/src/thermophysicalModels/specie/equationOfState/adiabaticPerfectFluid/adiabaticPerfectFluidI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -112,7 +112,7 @@ inline Foam::scalar Foam::adiabaticPerfectFluid::rho template -inline Foam::scalar Foam::adiabaticPerfectFluid::h +inline Foam::scalar Foam::adiabaticPerfectFluid::H ( scalar p, scalar T @@ -123,7 +123,7 @@ inline Foam::scalar Foam::adiabaticPerfectFluid::h template -inline Foam::scalar Foam::adiabaticPerfectFluid::cp +inline Foam::scalar Foam::adiabaticPerfectFluid::Cp ( scalar p, scalar T @@ -134,7 +134,7 @@ inline Foam::scalar Foam::adiabaticPerfectFluid::cp template -inline Foam::scalar Foam::adiabaticPerfectFluid::s +inline Foam::scalar Foam::adiabaticPerfectFluid::S ( scalar p, scalar T @@ -168,7 +168,7 @@ inline Foam::scalar Foam::adiabaticPerfectFluid::Z(scalar, scalar) const template -inline Foam::scalar Foam::adiabaticPerfectFluid::cpMcv +inline Foam::scalar Foam::adiabaticPerfectFluid::CpMCv ( scalar p, scalar T @@ -186,37 +186,19 @@ inline void Foam::adiabaticPerfectFluid::operator+= const adiabaticPerfectFluid& pf ) { - scalar molr1 = this->nMoles(); - + scalar Y1 = this->Y(); Specie::operator+=(pf); - molr1 /= this->nMoles(); - scalar molr2 = pf.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = pf.Y()/this->Y(); - p0_ = molr1*p0_ + molr2*pf.p0_; - rho0_ = molr1*rho0_ + molr2*pf.rho0_; - gamma_ = molr1*gamma_ + molr2*pf.gamma_; - B_ = molr1*B_ + molr2*pf.B_; -} - - -template -inline void Foam::adiabaticPerfectFluid::operator-= -( - const adiabaticPerfectFluid& pf -) -{ - scalar molr1 = this->nMoles(); - - Specie::operator-=(pf); - - molr1 /= this->nMoles(); - scalar molr2 = pf.nMoles()/this->nMoles(); - - p0_ = molr1*p0_ - molr2*pf.p0_; - rho0_ = molr1*rho0_ - molr2*pf.rho0_; - gamma_ = molr1*gamma_ - molr2*pf.gamma_; - B_ = molr1*B_ - molr2*pf.B_; + p0_ = Y1*p0_ + Y2*pf.p0_; + rho0_ = Y1*rho0_ + Y2*pf.rho0_; + gamma_ = Y1*gamma_ + Y2*pf.gamma_; + B_ = Y1*B_ + Y2*pf.B_; + } } @@ -236,42 +218,37 @@ inline Foam::adiabaticPerfectFluid Foam::operator+ const adiabaticPerfectFluid& pf2 ) { - scalar nMoles = pf1.nMoles() + pf2.nMoles(); - scalar molr1 = pf1.nMoles()/nMoles; - scalar molr2 = pf2.nMoles()/nMoles; - - return rhoConst + Specie sp ( static_cast(pf1) - + static_cast(pf2), - molr1*pf1.p0_ + molr2*pf2.p0_, - molr1*pf1.rho0_ + molr2*pf2.rho0_, - molr1*pf1.gamma_ + molr2*pf2.gamma_, - molr1*pf1.B_ + molr2*pf2.B_ + + static_cast(pf2) ); -} + if (mag(sp.Y()) < SMALL) + { + return adiabaticPerfectFluid + ( + sp, + pf1.p0_, + pf1.rho0_, + pf1.gamma_, + pf1.B_ + ); + } + else + { + const scalar Y1 = pf1.Y()/sp.Y(); + const scalar Y2 = pf2.Y()/sp.Y(); -template -inline Foam::adiabaticPerfectFluid Foam::operator- -( - const adiabaticPerfectFluid& pf1, - const adiabaticPerfectFluid& pf2 -) -{ - scalar nMoles = pf1.nMoles() + pf2.nMoles(); - scalar molr1 = pf1.nMoles()/nMoles; - scalar molr2 = pf2.nMoles()/nMoles; - - return rhoConst - ( - static_cast(pf1) - - static_cast(pf2), - molr1*pf1.p0_ - molr2*pf2.p0_, - molr1*pf1.rho0_ - molr2*pf2.rho0_, - molr1*pf1.gamma_ - molr2*pf2.gamma_, - molr1*pf1.B_ - molr2*pf2.B_ - ); + return adiabaticPerfectFluid + ( + sp, + Y1*pf1.p0_ + Y2*pf2.p0_, + Y1*pf1.rho0_ + Y2*pf2.rho0_, + Y1*pf1.gamma_ + Y2*pf2.gamma_, + Y1*pf1.B_ + Y2*pf2.B_ + ); + } } @@ -300,7 +277,23 @@ inline Foam::adiabaticPerfectFluid Foam::operator== const adiabaticPerfectFluid& pf2 ) { - return pf2 - pf1; + Specie sp + ( + static_cast(pf1) + == static_cast(pf2) + ); + + const scalar Y1 = pf1.Y()/sp.Y(); + const scalar Y2 = pf2.Y()/sp.Y(); + + return adiabaticPerfectFluid + ( + sp, + Y2*pf2.p0_ - Y1*pf1.p0_, + Y2*pf2.rho0_ - Y1*pf1.rho0_, + Y2*pf2.gamma_ - Y1*pf1.gamma_, + Y2*pf2.B_ - Y1*pf1.B_ + ); } diff --git a/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomial.C b/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomial.C index 3550f8a1b..472ff3e5f 100644 --- a/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomial.C +++ b/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomial.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -38,9 +38,7 @@ icoPolynomial::icoPolynomial(Istream& is) : Specie(is), rhoCoeffs_("rhoCoeffs<" + Foam::name(PolySize) + '>', is) -{ - rhoCoeffs_ *= this->W(); -} +{} template @@ -54,9 +52,7 @@ icoPolynomial::icoPolynomial(const dictionary& dict) "rhoCoeffs<" + Foam::name(PolySize) + '>' ) ) -{ - rhoCoeffs_ *= this->W(); -} +{} // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // @@ -70,7 +66,7 @@ void icoPolynomial::write(Ostream& os) const dict.add ( word("rhoCoeffs<" + Foam::name(PolySize) + '>'), - rhoCoeffs_/this->W() + rhoCoeffs_ ); os << indent << dict.dictName() << dict; @@ -84,7 +80,7 @@ Ostream& operator<<(Ostream& os, const icoPolynomial& ip) { os << static_cast(ip) << tab << "rhoCoeffs<" << Foam::name(PolySize) << '>' << tab - << ip.rhoCoeffs_/ip.W(); + << ip.rhoCoeffs_; os.check ( diff --git a/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomial.H b/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomial.H index 80bf9e928..2ba542512 100644 --- a/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomial.H +++ b/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomial.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -83,13 +83,6 @@ icoPolynomial operator+ const icoPolynomial& ); -template -icoPolynomial operator- -( - const icoPolynomial&, - const icoPolynomial& -); - template icoPolynomial operator* ( @@ -180,14 +173,14 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; @@ -195,8 +188,8 @@ public: //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -209,8 +202,6 @@ public: inline void operator=(const icoPolynomial&); inline void operator+=(const icoPolynomial&); - inline void operator-=(const icoPolynomial&); - inline void operator*=(const scalar); @@ -222,12 +213,6 @@ public: const icoPolynomial& ); - friend icoPolynomial operator- - ( - const icoPolynomial&, - const icoPolynomial& - ); - friend icoPolynomial operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomialI.H b/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomialI.H index 03d087c74..5358f425e 100644 --- a/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomialI.H +++ b/src/thermophysicalModels/specie/equationOfState/icoPolynomial/icoPolynomialI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -106,12 +106,12 @@ inline Foam::scalar Foam::icoPolynomial::rho scalar T ) const { - return rhoCoeffs_.value(T)/this->W(); + return rhoCoeffs_.value(T); } template -inline Foam::scalar Foam::icoPolynomial::h +inline Foam::scalar Foam::icoPolynomial::H ( scalar p, scalar T @@ -122,7 +122,7 @@ inline Foam::scalar Foam::icoPolynomial::h template -inline Foam::scalar Foam::icoPolynomial::cp +inline Foam::scalar Foam::icoPolynomial::Cp ( scalar p, scalar T @@ -133,7 +133,7 @@ inline Foam::scalar Foam::icoPolynomial::cp template -inline Foam::scalar Foam::icoPolynomial::s +inline Foam::scalar Foam::icoPolynomial::S ( scalar p, scalar T @@ -166,7 +166,7 @@ inline Foam::scalar Foam::icoPolynomial::Z template -inline Foam::scalar Foam::icoPolynomial::cpMcv +inline Foam::scalar Foam::icoPolynomial::CpMCv ( scalar p, scalar T @@ -196,31 +196,16 @@ inline void Foam::icoPolynomial::operator+= const icoPolynomial& ip ) { - scalar molr1 = this->nMoles(); - + scalar Y1 = this->Y(); Specie::operator+=(ip); - molr1 /= this->nMoles(); - scalar molr2 = ip.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = ip.Y()/this->Y(); - rhoCoeffs_ = molr1*rhoCoeffs_ + molr2*ip.rhoCoeffs_; -} - - -template -inline void Foam::icoPolynomial::operator-= -( - const icoPolynomial& ip -) -{ - scalar molr1 = this->nMoles(); - - Specie::operator-=(ip); - - molr1 /= this->nMoles(); - scalar molr2 = ip.nMoles()/this->nMoles(); - - rhoCoeffs_ = molr1*rhoCoeffs_ - molr2*ip.rhoCoeffs_; + rhoCoeffs_ = Y1*rhoCoeffs_ + Y2*ip.rhoCoeffs_; + } } @@ -240,36 +225,31 @@ Foam::icoPolynomial Foam::operator+ const icoPolynomial& ip2 ) { - scalar nMoles = ip1.nMoles() + ip2.nMoles(); - scalar molr1 = ip1.nMoles()/nMoles; - scalar molr2 = ip2.nMoles()/nMoles; - - return icoPolynomial + Specie sp ( static_cast(ip1) - + static_cast(ip2), - molr1*ip1.rhoCoeffs_ + molr2*ip2.rhoCoeffs_ + + static_cast(ip2) ); -} + if (mag(sp.Y()) < SMALL) + { + return icoPolynomial + ( + sp, + ip1.rhoCoeffs_ + ); + } + else + { + const scalar Y1 = ip1.Y()/sp.Y(); + const scalar Y2 = ip2.Y()/sp.Y(); -template -Foam::icoPolynomial Foam::operator- -( - const icoPolynomial& ip1, - const icoPolynomial& ip2 -) -{ - scalar nMoles = ip1.nMoles() + ip2.nMoles(); - scalar molr1 = ip1.nMoles()/nMoles; - scalar molr2 = ip2.nMoles()/nMoles; - - return icoPolynomial - ( - static_cast(ip1) - - static_cast(ip2), - molr1*ip1.rhoCoeffs_ - molr2*ip2.rhoCoeffs_ - ); + return icoPolynomial + ( + sp, + Y1*ip1.rhoCoeffs_ + Y2*ip2.rhoCoeffs_ + ); + } } @@ -295,7 +275,20 @@ Foam::icoPolynomial Foam::operator== const icoPolynomial& ip2 ) { - return ip2 - ip1; + Specie sp + ( + static_cast(ip1) + == static_cast(ip2) + ); + + const scalar Y1 = ip1.Y()/sp.Y(); + const scalar Y2 = ip2.Y()/sp.Y(); + + return icoPolynomial + ( + sp, + Y2*ip2.rhoCoeffs_ - Y1*ip1.rhoCoeffs_ + ); } diff --git a/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGas.C b/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGas.C index 4f957aafe..02955422b 100644 --- a/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGas.C +++ b/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGas.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGas.H b/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGas.H index 67adc188c..cf0c73dbf 100644 --- a/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGas.H +++ b/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGas.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -56,13 +56,6 @@ inline incompressiblePerfectGas operator+ const incompressiblePerfectGas& ); -template -inline incompressiblePerfectGas operator- -( - const incompressiblePerfectGas&, - const incompressiblePerfectGas& -); - template inline incompressiblePerfectGas operator* ( @@ -158,14 +151,14 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; @@ -173,8 +166,8 @@ public: //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -187,8 +180,6 @@ public: inline void operator=(const incompressiblePerfectGas&); inline void operator+=(const incompressiblePerfectGas&); - inline void operator-=(const incompressiblePerfectGas&); - inline void operator*=(const scalar); @@ -200,12 +191,6 @@ public: const incompressiblePerfectGas& ); - friend incompressiblePerfectGas operator- - ( - const incompressiblePerfectGas&, - const incompressiblePerfectGas& - ); - friend incompressiblePerfectGas operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGasI.H b/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGasI.H index 8816c9f31..f1772442b 100644 --- a/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGasI.H +++ b/src/thermophysicalModels/specie/equationOfState/incompressiblePerfectGas/incompressiblePerfectGasI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -115,7 +115,7 @@ inline Foam::scalar Foam::incompressiblePerfectGas::rho template -inline Foam::scalar Foam::incompressiblePerfectGas::h +inline Foam::scalar Foam::incompressiblePerfectGas::H ( scalar p, scalar T @@ -126,7 +126,7 @@ inline Foam::scalar Foam::incompressiblePerfectGas::h template -inline Foam::scalar Foam::incompressiblePerfectGas::cp +inline Foam::scalar Foam::incompressiblePerfectGas::Cp ( scalar p, scalar T @@ -137,7 +137,7 @@ inline Foam::scalar Foam::incompressiblePerfectGas::cp template -inline Foam::scalar Foam::incompressiblePerfectGas::s +inline Foam::scalar Foam::incompressiblePerfectGas::S ( scalar p, scalar T @@ -170,13 +170,13 @@ inline Foam::scalar Foam::incompressiblePerfectGas::Z template -inline Foam::scalar Foam::incompressiblePerfectGas::cpMcv +inline Foam::scalar Foam::incompressiblePerfectGas::CpMCv ( scalar p, scalar T ) const { - return RR; + return this->R(); } @@ -199,23 +199,16 @@ inline void Foam::incompressiblePerfectGas::operator+= const incompressiblePerfectGas& ipg ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); Specie::operator+=(ipg); - molr1 /= this->nMoles(); - scalar molr2 = ipg.nMoles()/this->nMoles(); - pRef_ = molr1*pRef_ + molr2*ipg.pRef_; -} + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = ipg.Y()/this->Y(); - -template -inline void Foam::incompressiblePerfectGas::operator-= -( - const incompressiblePerfectGas& ipg -) -{ - Specie::operator-=(ipg); - pRef_ = ipg.pRef_; + pRef_ = Y1*pRef_ + Y2*ipg.pRef_; + } } @@ -235,32 +228,31 @@ inline Foam::incompressiblePerfectGas Foam::operator+ const incompressiblePerfectGas& ipg2 ) { - scalar nMoles = ipg1.nMoles() + ipg2.nMoles(); - scalar molr1 = ipg1.nMoles()/nMoles; - scalar molr2 = ipg2.nMoles()/nMoles; - - return incompressiblePerfectGas + Specie sp ( static_cast(ipg1) - + static_cast(ipg2), - molr1*ipg1.pRef_ + molr2*ipg2.pRef_ + + static_cast(ipg2) ); -} + if (mag(sp.Y()) < SMALL) + { + return incompressiblePerfectGas + ( + sp, + ipg1.pRef_ + ); + } + else + { + const scalar Y1 = ipg1.Y()/sp.Y(); + const scalar Y2 = ipg2.Y()/sp.Y(); -template -inline Foam::incompressiblePerfectGas Foam::operator- -( - const incompressiblePerfectGas& ipg1, - const incompressiblePerfectGas& ipg2 -) -{ - return incompressiblePerfectGas - ( - static_cast(ipg1) - - static_cast(ipg2), - ipg1.pRef_ - ); + return incompressiblePerfectGas + ( + sp, + Y1*ipg1.pRef_ + Y2*ipg2.pRef_ + ); + } } @@ -282,11 +274,24 @@ inline Foam::incompressiblePerfectGas Foam::operator* template inline Foam::incompressiblePerfectGas Foam::operator== ( - const incompressiblePerfectGas& pg1, - const incompressiblePerfectGas& pg2 + const incompressiblePerfectGas& ipg1, + const incompressiblePerfectGas& ipg2 ) { - return pg2 - pg1; + Specie sp + ( + static_cast(ipg1) + == static_cast(ipg2) + ); + + const scalar Y1 = ipg1.Y()/sp.Y(); + const scalar Y2 = ipg2.Y()/sp.Y(); + + return incompressiblePerfectGas + ( + sp, + Y2*ipg2.pRef_ - Y1*ipg1.pRef_ + ); } diff --git a/src/thermophysicalModels/specie/equationOfState/linear/linear.C b/src/thermophysicalModels/specie/equationOfState/linear/linear.C index 562bdecf2..6259930ae 100644 --- a/src/thermophysicalModels/specie/equationOfState/linear/linear.C +++ b/src/thermophysicalModels/specie/equationOfState/linear/linear.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/specie/equationOfState/linear/linear.H b/src/thermophysicalModels/specie/equationOfState/linear/linear.H index 99d924632..9bff7e46f 100644 --- a/src/thermophysicalModels/specie/equationOfState/linear/linear.H +++ b/src/thermophysicalModels/specie/equationOfState/linear/linear.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -58,13 +58,6 @@ inline linear operator+ const linear& ); -template -inline linear operator- -( - const linear&, - const linear& -); - template inline linear operator* ( @@ -156,14 +149,14 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; @@ -171,8 +164,8 @@ public: //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -184,8 +177,6 @@ public: // Member operators inline void operator+=(const linear&); - inline void operator-=(const linear&); - inline void operator*=(const scalar); @@ -197,12 +188,6 @@ public: const linear& ); - friend linear operator- - ( - const linear&, - const linear& - ); - friend linear operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/linear/linearI.H b/src/thermophysicalModels/specie/equationOfState/linear/linearI.H index 701ccc3c7..951268eab 100644 --- a/src/thermophysicalModels/specie/equationOfState/linear/linearI.H +++ b/src/thermophysicalModels/specie/equationOfState/linear/linearI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2013-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2013-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -93,21 +93,21 @@ inline Foam::scalar Foam::linear::rho(scalar p, scalar T) const template -inline Foam::scalar Foam::linear::h(scalar p, scalar T) const +inline Foam::scalar Foam::linear::H(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::linear::cp(scalar p, scalar T) const +inline Foam::scalar Foam::linear::Cp(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::linear::s(scalar p, scalar T) const +inline Foam::scalar Foam::linear::S(scalar p, scalar T) const { return -log((rho0_ + psi_*p)/(rho0_ + psi_*Pstd))/(T*psi_); } @@ -128,7 +128,7 @@ inline Foam::scalar Foam::linear::Z(scalar p, scalar T) const template -inline Foam::scalar Foam::linear::cpMcv(scalar p, scalar T) const +inline Foam::scalar Foam::linear::CpMCv(scalar p, scalar T) const { return 0; } @@ -142,33 +142,17 @@ inline void Foam::linear::operator+= const linear& pf ) { - scalar molr1 = this->nMoles(); - + scalar Y1 = this->Y(); Specie::operator+=(pf); - molr1 /= this->nMoles(); - scalar molr2 = pf.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = pf.Y()/this->Y(); - psi_ = molr1*psi_ + molr2*pf.psi_; - rho0_ = molr1*rho0_ + molr2*pf.rho0_; -} - - -template -inline void Foam::linear::operator-= -( - const linear& pf -) -{ - scalar molr1 = this->nMoles(); - - Specie::operator-=(pf); - - molr1 /= this->nMoles(); - scalar molr2 = pf.nMoles()/this->nMoles(); - - psi_ = molr1*psi_ - molr2*pf.psi_; - rho0_ = molr1*rho0_ - molr2*pf.rho0_; + psi_ = Y1*psi_ + Y2*pf.psi_; + rho0_ = Y1*rho0_ + Y2*pf.rho0_; + } } @@ -188,38 +172,33 @@ inline Foam::linear Foam::operator+ const linear& pf2 ) { - scalar nMoles = pf1.nMoles() + pf2.nMoles(); - scalar molr1 = pf1.nMoles()/nMoles; - scalar molr2 = pf2.nMoles()/nMoles; - - return rhoConst + Specie sp ( static_cast(pf1) - + static_cast(pf2), - molr1*pf1.psi_ + molr2*pf2.psi_, - molr1*pf1.rho0_ + molr2*pf2.rho0_ + + static_cast(pf2) ); -} + if (mag(sp.Y()) < SMALL) + { + return linear + ( + sp, + pf1.psi_, + pf1.rho0_ + ); + } + else + { + const scalar Y1 = pf1.Y()/sp.Y(); + const scalar Y2 = pf2.Y()/sp.Y(); -template -inline Foam::linear Foam::operator- -( - const linear& pf1, - const linear& pf2 -) -{ - scalar nMoles = pf1.nMoles() + pf2.nMoles(); - scalar molr1 = pf1.nMoles()/nMoles; - scalar molr2 = pf2.nMoles()/nMoles; - - return rhoConst - ( - static_cast(pf1) - - static_cast(pf2), - molr1*pf1.psi_ - molr2*pf2.psi_, - molr1*pf1.rho0_ - molr2*pf2.rho0_ - ); + return linear + ( + sp, + Y1*pf1.psi_ + Y2*pf2.psi_, + Y1*pf1.rho0_ + Y2*pf2.rho0_ + ); + } } @@ -246,7 +225,21 @@ inline Foam::linear Foam::operator== const linear& pf2 ) { - return pf2 - pf1; + Specie sp + ( + static_cast(pf1) + == static_cast(pf2) + ); + + const scalar Y1 = pf1.Y()/sp.Y(); + const scalar Y2 = pf2.Y()/sp.Y(); + + return linear + ( + sp, + Y2*pf2.psi_ - Y1*pf1.psi_, + Y2*pf2.rho0_ - Y1*pf1.rho0_ + ); } diff --git a/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluid.C b/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluid.C index 612fc6f9e..1857552c6 100644 --- a/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluid.C +++ b/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluid.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2013 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluid.H b/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluid.H index 1d0e993b4..89fcab787 100644 --- a/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluid.H +++ b/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluid.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -54,13 +54,6 @@ inline perfectFluid operator+ const perfectFluid& ); -template -inline perfectFluid operator- -( - const perfectFluid&, - const perfectFluid& -); - template inline perfectFluid operator* ( @@ -155,14 +148,14 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; @@ -170,8 +163,8 @@ public: //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -183,8 +176,6 @@ public: // Member operators inline void operator+=(const perfectFluid&); - inline void operator-=(const perfectFluid&); - inline void operator*=(const scalar); @@ -196,12 +187,6 @@ public: const perfectFluid& ); - friend perfectFluid operator- - ( - const perfectFluid&, - const perfectFluid& - ); - friend perfectFluid operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluidI.H b/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluidI.H index f58bcaaed..133902b87 100644 --- a/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluidI.H +++ b/src/thermophysicalModels/specie/equationOfState/perfectFluid/perfectFluidI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -101,23 +101,23 @@ inline Foam::scalar Foam::perfectFluid::rho(scalar p, scalar T) const template -inline Foam::scalar Foam::perfectFluid::h(scalar p, scalar T) const +inline Foam::scalar Foam::perfectFluid::H(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::perfectFluid::cp(scalar p, scalar T) const +inline Foam::scalar Foam::perfectFluid::Cp(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::perfectFluid::s(scalar p, scalar T) const +inline Foam::scalar Foam::perfectFluid::S(scalar p, scalar T) const { - return -RR*log(p/Pstd); + return -this->R()*log(p/Pstd); } @@ -136,7 +136,7 @@ inline Foam::scalar Foam::perfectFluid::Z(scalar p, scalar T) const template -inline Foam::scalar Foam::perfectFluid::cpMcv(scalar p, scalar T) const +inline Foam::scalar Foam::perfectFluid::CpMCv(scalar p, scalar T) const { return 0; } @@ -150,33 +150,17 @@ inline void Foam::perfectFluid::operator+= const perfectFluid& pf ) { - scalar molr1 = this->nMoles(); - + scalar Y1 = this->Y(); Specie::operator+=(pf); - molr1 /= this->nMoles(); - scalar molr2 = pf.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = pf.Y()/this->Y(); - R_ = 1.0/(molr1/R_ + molr2/pf.R_); - rho0_ = molr1*rho0_ + molr2*pf.rho0_; -} - - -template -inline void Foam::perfectFluid::operator-= -( - const perfectFluid& pf -) -{ - scalar molr1 = this->nMoles(); - - Specie::operator-=(pf); - - molr1 /= this->nMoles(); - scalar molr2 = pf.nMoles()/this->nMoles(); - - R_ = 1.0/(molr1/R_ - molr2/pf.R_); - rho0_ = molr1*rho0_ - molr2*pf.rho0_; + R_ = 1.0/(Y1/R_ + Y2/pf.R_); + rho0_ = Y1*rho0_ + Y2*pf.rho0_; + } } @@ -196,38 +180,33 @@ inline Foam::perfectFluid Foam::operator+ const perfectFluid& pf2 ) { - scalar nMoles = pf1.nMoles() + pf2.nMoles(); - scalar molr1 = pf1.nMoles()/nMoles; - scalar molr2 = pf2.nMoles()/nMoles; - - return perfectFluid + Specie sp ( static_cast(pf1) - + static_cast(pf2), - 1.0/(molr1/pf1.R_ + molr2/pf2.R_), - molr1*pf1.rho0_ + molr2*pf2.rho0_ + + static_cast(pf2) ); -} + if (mag(sp.Y()) < SMALL) + { + return perfectFluid + ( + sp, + pf1.R_, + pf1.rho0_ + ); + } + else + { + const scalar Y1 = pf1.Y()/sp.Y(); + const scalar Y2 = pf2.Y()/sp.Y(); -template -inline Foam::perfectFluid Foam::operator- -( - const perfectFluid& pf1, - const perfectFluid& pf2 -) -{ - scalar nMoles = pf1.nMoles() + pf2.nMoles(); - scalar molr1 = pf1.nMoles()/nMoles; - scalar molr2 = pf2.nMoles()/nMoles; - - return perfectFluid - ( - static_cast(pf1) - - static_cast(pf2), - 1.0/(molr1/pf1.R_ - molr2/pf2.R_), - molr1*pf1.rho0_ - molr2*pf2.rho0_ - ); + return perfectFluid + ( + sp, + 1.0/(Y1/pf1.R_ + Y2/pf2.R_), + Y1*pf1.rho0_ + Y2*pf2.rho0_ + ); + } } @@ -254,7 +233,21 @@ inline Foam::perfectFluid Foam::operator== const perfectFluid& pf2 ) { - return pf2 - pf1; + Specie sp + ( + static_cast(pf1) + == static_cast(pf2) + ); + + const scalar Y1 = pf1.Y()/sp.Y(); + const scalar Y2 = pf2.Y()/sp.Y(); + + return perfectFluid + ( + sp, + 1.0/(Y2/pf2.R_ - Y1/pf1.R_), + Y2*pf2.rho0_ - Y1*pf1.rho0_ + ); } diff --git a/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGas.C b/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGas.C index 115f7ae7c..f63ffbbc6 100644 --- a/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGas.C +++ b/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGas.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGas.H b/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGas.H index b3671e5b1..6d519c75c 100644 --- a/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGas.H +++ b/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGas.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -54,13 +54,6 @@ inline perfectGas operator+ const perfectGas& ); -template -inline perfectGas operator- -( - const perfectGas&, - const perfectGas& -); - template inline perfectGas operator* ( @@ -139,14 +132,14 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; @@ -154,8 +147,8 @@ public: //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -167,8 +160,6 @@ public: // Member operators inline void operator+=(const perfectGas&); - inline void operator-=(const perfectGas&); - inline void operator*=(const scalar); @@ -180,12 +171,6 @@ public: const perfectGas& ); - friend perfectGas operator- - ( - const perfectGas&, - const perfectGas& - ); - friend perfectGas operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGasI.H b/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGasI.H index 94e0c500f..764a53dfe 100644 --- a/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGasI.H +++ b/src/thermophysicalModels/specie/equationOfState/perfectGas/perfectGasI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -83,23 +83,23 @@ inline Foam::scalar Foam::perfectGas::rho(scalar p, scalar T) const template -inline Foam::scalar Foam::perfectGas::h(scalar p, scalar T) const +inline Foam::scalar Foam::perfectGas::H(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::perfectGas::cp(scalar p, scalar T) const +inline Foam::scalar Foam::perfectGas::Cp(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::perfectGas::s(scalar p, scalar T) const +inline Foam::scalar Foam::perfectGas::S(scalar p, scalar T) const { - return -RR*log(p/Pstd); + return -this->R()*log(p/Pstd); } @@ -118,9 +118,9 @@ inline Foam::scalar Foam::perfectGas::Z(scalar p, scalar T) const template -inline Foam::scalar Foam::perfectGas::cpMcv(scalar p, scalar T) const +inline Foam::scalar Foam::perfectGas::CpMCv(scalar p, scalar T) const { - return RR; + return this->R(); } @@ -133,13 +133,6 @@ inline void Foam::perfectGas::operator+=(const perfectGas& pg) } -template -inline void Foam::perfectGas::operator-=(const perfectGas& pg) -{ - Specie::operator-=(pg); -} - - template inline void Foam::perfectGas::operator*=(const scalar s) { @@ -158,23 +151,7 @@ inline Foam::perfectGas Foam::operator+ { return perfectGas ( - static_cast(pg1) - + static_cast(pg2) - ); -} - - -template -inline Foam::perfectGas Foam::operator- -( - const perfectGas& pg1, - const perfectGas& pg2 -) -{ - return perfectGas - ( - static_cast(pg1) - - static_cast(pg2) + static_cast(pg1) + static_cast(pg2) ); } @@ -197,7 +174,10 @@ inline Foam::perfectGas Foam::operator== const perfectGas& pg2 ) { - return pg2 - pg1; + return perfectGas + ( + static_cast(pg1) == static_cast(pg2) + ); } diff --git a/src/thermophysicalModels/specie/equationOfState/rhoConst/rhoConst.H b/src/thermophysicalModels/specie/equationOfState/rhoConst/rhoConst.H index 160015a0f..a60f52581 100644 --- a/src/thermophysicalModels/specie/equationOfState/rhoConst/rhoConst.H +++ b/src/thermophysicalModels/specie/equationOfState/rhoConst/rhoConst.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -54,13 +54,6 @@ inline rhoConst operator+ const rhoConst& ); -template -inline rhoConst operator- -( - const rhoConst&, - const rhoConst& -); - template inline rhoConst operator* ( @@ -141,14 +134,14 @@ public: //- Return density [kg/m^3] inline scalar rho(scalar p, scalar T) const; - //- Return enthalpy departure [J/kmol] - inline scalar h(const scalar p, const scalar T) const; + //- Return enthalpy departure [J/kg] + inline scalar H(const scalar p, const scalar T) const; - //- Return cp departure [J/(kmol K] - inline scalar cp(scalar p, scalar T) const; + //- Return Cp departure [J/(kg K] + inline scalar Cp(scalar p, scalar T) const; - //- Return entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Return entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; //- Return compressibility rho/p [s^2/m^2] inline scalar psi(scalar p, scalar T) const; @@ -156,8 +149,8 @@ public: //- Return compression factor [] inline scalar Z(scalar p, scalar T) const; - //- Return (cp - cv) [J/(kmol K] - inline scalar cpMcv(scalar p, scalar T) const; + //- Return (Cp - Cv) [J/(kg K] + inline scalar CpMCv(scalar p, scalar T) const; // IO @@ -169,8 +162,6 @@ public: // Member operators inline void operator+=(const rhoConst&); - inline void operator-=(const rhoConst&); - inline void operator*=(const scalar); @@ -182,12 +173,6 @@ public: const rhoConst& ); - friend rhoConst operator- - ( - const rhoConst&, - const rhoConst& - ); - friend rhoConst operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/equationOfState/rhoConst/rhoConstI.H b/src/thermophysicalModels/specie/equationOfState/rhoConst/rhoConstI.H index 09f884b8b..fb5e10124 100644 --- a/src/thermophysicalModels/specie/equationOfState/rhoConst/rhoConstI.H +++ b/src/thermophysicalModels/specie/equationOfState/rhoConst/rhoConstI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -79,21 +79,21 @@ inline Foam::scalar Foam::rhoConst::rho(scalar p, scalar T) const template -inline Foam::scalar Foam::rhoConst::h(scalar p, scalar T) const +inline Foam::scalar Foam::rhoConst::H(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::rhoConst::cp(scalar p, scalar T) const +inline Foam::scalar Foam::rhoConst::Cp(scalar p, scalar T) const { return 0; } template -inline Foam::scalar Foam::rhoConst::s(scalar p, scalar T) const +inline Foam::scalar Foam::rhoConst::S(scalar p, scalar T) const { return 0; } @@ -114,7 +114,7 @@ inline Foam::scalar Foam::rhoConst::Z(scalar p, scalar T) const template -inline Foam::scalar Foam::rhoConst::cpMcv(scalar p, scalar T) const +inline Foam::scalar Foam::rhoConst::CpMCv(scalar p, scalar T) const { return 0; } @@ -125,28 +125,16 @@ inline Foam::scalar Foam::rhoConst::cpMcv(scalar p, scalar T) const template inline void Foam::rhoConst::operator+=(const rhoConst& ico) { - scalar molr1 = this->nMoles(); - + scalar Y1 = this->Y(); Specie::operator+=(ico); - molr1 /= this->nMoles(); - scalar molr2 = ico.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = ico.Y()/this->Y(); - rho_ = molr1*rho_ + molr2*ico.rho_; -} - - -template -inline void Foam::rhoConst::operator-=(const rhoConst& ico) -{ - scalar molr1 = this->nMoles(); - - Specie::operator-=(ico); - - molr1 /= this->nMoles(); - scalar molr2 = ico.nMoles()/this->nMoles(); - - rho_ = molr1*rho_ - molr2*ico.rho_; + rho_ = Y1*rho_ + Y2*ico.rho_; + } } @@ -166,36 +154,31 @@ inline Foam::rhoConst Foam::operator+ const rhoConst& ico2 ) { - scalar nMoles = ico1.nMoles() + ico2.nMoles(); - scalar molr1 = ico1.nMoles()/nMoles; - scalar molr2 = ico2.nMoles()/nMoles; - - return rhoConst + Specie sp ( static_cast(ico1) - + static_cast(ico2), - molr1*ico1.rho_ + molr2*ico2.rho_ + + static_cast(ico2) ); -} + if (mag(sp.Y()) < SMALL) + { + return rhoConst + ( + sp, + ico1.rho_ + ); + } + else + { + const scalar Y1 = ico1.Y()/sp.Y(); + const scalar Y2 = ico2.Y()/sp.Y(); -template -inline Foam::rhoConst Foam::operator- -( - const rhoConst& ico1, - const rhoConst& ico2 -) -{ - scalar nMoles = ico1.nMoles() + ico2.nMoles(); - scalar molr1 = ico1.nMoles()/nMoles; - scalar molr2 = ico2.nMoles()/nMoles; - - return rhoConst - ( - static_cast(ico1) - - static_cast(ico2), - molr1*ico1.rho_ - molr2*ico2.rho_ - ); + return rhoConst + ( + sp, + Y1*ico1.rho_ + Y2*ico2.rho_ + ); + } } @@ -217,7 +200,20 @@ inline Foam::rhoConst Foam::operator== const rhoConst& ico2 ) { - return ico2 - ico1; + Specie sp + ( + static_cast(ico1) + == static_cast(ico2) + ); + + const scalar Y1 = ico1.Y()/sp.Y(); + const scalar Y2 = ico2.Y()/sp.Y(); + + return rhoConst + ( + sp, + Y2*ico2.rho_ - Y1*ico1.rho_ + ); } diff --git a/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C b/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C index 8dff4ef93..dc43975c4 100644 --- a/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C +++ b/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -111,29 +111,37 @@ void Foam::Reaction::setThermo const HashPtrTable& thermoDatabase ) { - if (rhs_.size() > 0) - { - ReactionThermo::thermoType::operator= - ( - rhs_[0].stoichCoeff*(*thermoDatabase[species_[rhs_[0].index]]) - ); + typename ReactionThermo::thermoType rhsThermo + ( + rhs_[0].stoichCoeff + *(*thermoDatabase[species_[rhs_[0].index]]).W() + *(*thermoDatabase[species_[rhs_[0].index]]) + ); - for (label i=1; ioperator+= - ( - rhs_[i].stoichCoeff*(*thermoDatabase[species_[rhs_[i].index]]) - ); - } + for (label i=1; ioperator-= - ( - lhs_[i].stoichCoeff*(*thermoDatabase[species_[lhs_[i].index]]) - ); + lhsThermo += + lhs_[i].stoichCoeff + *(*thermoDatabase[species_[lhs_[i].index]]).W() + *(*thermoDatabase[species_[lhs_[i].index]]); } + + ReactionThermo::thermoType::operator=(lhsThermo == rhsThermo); } diff --git a/src/thermophysicalModels/specie/specie/specie.C b/src/thermophysicalModels/specie/specie/specie.C index 8a4f7612a..b507212cd 100644 --- a/src/thermophysicalModels/specie/specie/specie.C +++ b/src/thermophysicalModels/specie/specie/specie.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -40,7 +40,7 @@ namespace Foam Foam::specie::specie(Istream& is) : name_(is), - nMoles_(readScalar(is)), + Y_(readScalar(is)), molWeight_(readScalar(is)) { is.check("specie::specie(Istream& is)"); @@ -50,7 +50,7 @@ Foam::specie::specie(Istream& is) Foam::specie::specie(const dictionary& dict) : name_(dict.dictName()), - nMoles_(readScalar(dict.subDict("specie").lookup("nMoles"))), + Y_(dict.subDict("specie").lookupOrDefault("massFraction", 1.0)), molWeight_(readScalar(dict.subDict("specie").lookup("molWeight"))) {} @@ -60,7 +60,10 @@ Foam::specie::specie(const dictionary& dict) void Foam::specie::write(Ostream& os) const { dictionary dict("specie"); - dict.add("nMoles", nMoles_); + if (Y_ != 1) + { + dict.add("massFraction", Y_); + } dict.add("molWeight", molWeight_); os << indent << dict.dictName() << dict; } @@ -71,7 +74,7 @@ void Foam::specie::write(Ostream& os) const Foam::Ostream& Foam::operator<<(Ostream& os, const specie& st) { os << st.name_ << tab - << st.nMoles_ << tab + << st.Y_ << tab << st.molWeight_; os.check("Ostream& operator<<(Ostream& os, const specie& st)"); diff --git a/src/thermophysicalModels/specie/specie/specie.H b/src/thermophysicalModels/specie/specie/specie.H index 28d729081..52ebcbe13 100644 --- a/src/thermophysicalModels/specie/specie/specie.H +++ b/src/thermophysicalModels/specie/specie/specie.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -53,7 +53,6 @@ namespace Foam class specie; inline specie operator+(const specie&, const specie&); -inline specie operator-(const specie&, const specie&); inline specie operator*(const scalar, const specie&); inline specie operator==(const specie&, const specie&); @@ -72,7 +71,7 @@ class specie word name_; //- Number of moles of this component in the mixture - scalar nMoles_; + scalar Y_; //- Molecular weight of specie [kg/kmol] scalar molWeight_; @@ -86,15 +85,14 @@ public: // Constructors - //- Construct from components without name - inline specie(const scalar nMoles, const scalar molWeight); + inline specie(const scalar Y, const scalar molWeight); //- Construct from components with name inline specie ( const word& name, - const scalar nMoles, + const scalar Y, const scalar molWeight ); @@ -122,7 +120,7 @@ public: inline scalar W() const; //- No of moles of this species in mixture - inline scalar nMoles() const; + inline scalar Y() const; //- Gas constant [J/(kg K)] inline scalar R() const; @@ -137,20 +135,14 @@ public: // Member operators inline void operator=(const specie&); - inline void operator+=(const specie&); - inline void operator-=(const specie&); - inline void operator*=(const scalar); // Friend operators inline friend specie operator+(const specie&, const specie&); - inline friend specie operator-(const specie&, const specie&); - inline friend specie operator*(const scalar, const specie&); - inline friend specie operator==(const specie&, const specie&); diff --git a/src/thermophysicalModels/specie/specie/specieI.H b/src/thermophysicalModels/specie/specie/specieI.H index 76d979b3c..fb8255dbe 100644 --- a/src/thermophysicalModels/specie/specie/specieI.H +++ b/src/thermophysicalModels/specie/specie/specieI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -35,23 +35,23 @@ namespace Foam inline specie::specie ( const word& name, - const scalar nMoles, + const scalar Y, const scalar molWeight ) : name_(name), - nMoles_(nMoles), + Y_(Y), molWeight_(molWeight) {} inline specie::specie ( - const scalar nMoles, + const scalar Y, const scalar molWeight ) : - nMoles_(nMoles), + Y_(Y), molWeight_(molWeight) {} @@ -61,7 +61,7 @@ inline specie::specie inline specie::specie(const specie& st) : name_(st.name_), - nMoles_(st.nMoles_), + Y_(st.Y_), molWeight_(st.molWeight_) {} @@ -69,7 +69,7 @@ inline specie::specie(const specie& st) inline specie::specie(const word& name, const specie& st) : name_(name), - nMoles_(st.nMoles_), + Y_(st.Y_), molWeight_(st.molWeight_) {} @@ -88,9 +88,9 @@ inline scalar specie::W() const } -inline scalar specie::nMoles() const +inline scalar specie::Y() const { - return nMoles_; + return Y_; } @@ -105,42 +105,26 @@ inline scalar specie::R() const inline void specie::operator=(const specie& st) { //name_ = st.name_; - nMoles_ = st.nMoles_; + Y_ = st.Y_; molWeight_ = st.molWeight_; } inline void specie::operator+=(const specie& st) { - scalar sumNmoles = max(nMoles_ + st.nMoles_, SMALL); - - molWeight_ = - nMoles_/sumNmoles*molWeight_ - + st.nMoles_/sumNmoles*st.molWeight_; - - nMoles_ = sumNmoles; -} - - -inline void specie::operator-=(const specie& st) -{ - scalar diffnMoles = nMoles_ - st.nMoles_; - if (mag(diffnMoles) < SMALL) + const scalar sumY = Y_ + st.Y_; + if (mag(sumY) > SMALL) { - diffnMoles = SMALL; + molWeight_ = sumY/(Y_/molWeight_ + st.Y_/st.molWeight_); } - molWeight_ = - nMoles_/diffnMoles*molWeight_ - - st.nMoles_/diffnMoles*st.molWeight_; - - nMoles_ = diffnMoles; + Y_ = sumY; } inline void specie::operator*=(const scalar s) { - nMoles_ *= s; + Y_ *= s; } @@ -148,31 +132,20 @@ inline void specie::operator*=(const scalar s) inline specie operator+(const specie& st1, const specie& st2) { - scalar sumNmoles = max(st1.nMoles_ + st2.nMoles_, SMALL); + const scalar sumY = max(st1.Y_ + st2.Y_, SMALL); - return specie - ( - sumNmoles, - st1.nMoles_/sumNmoles*st1.molWeight_ - + st2.nMoles_/sumNmoles*st2.molWeight_ - ); -} - - -inline specie operator-(const specie& st1, const specie& st2) -{ - scalar diffNmoles = st1.nMoles_ - st2.nMoles_; - if (mag(diffNmoles) < SMALL) + if (mag(sumY) > SMALL) { - diffNmoles = SMALL; + return specie + ( + sumY, + sumY/(st1.Y_/st1.molWeight_ + st2.Y_/st2.molWeight_) + ); + } + else + { + return st1; } - - return specie - ( - diffNmoles, - st1.nMoles_/diffNmoles*st1.molWeight_ - - st2.nMoles_/diffNmoles*st2.molWeight_ - ); } @@ -180,7 +153,7 @@ inline specie operator*(const scalar s, const specie& st) { return specie ( - s*st.nMoles_, + s*st.Y_, st.molWeight_ ); } @@ -188,7 +161,22 @@ inline specie operator*(const scalar s, const specie& st) inline specie operator==(const specie& st1, const specie& st2) { - return st2 - st1; + scalar diffY = st2.Y_ - st1.Y_; + if (mag(diffY) < SMALL) + { + diffY = SMALL; + } + + const scalar diffRW = + st2.Y_/st2.molWeight_ - st1.Y_/st1.molWeight_; + + scalar molWeight = GREAT; + if (mag(diffRW) > SMALL) + { + molWeight = diffY/diffRW; + } + + return specie(diffY, molWeight); } diff --git a/src/thermophysicalModels/specie/thermo/absoluteEnthalpy/absoluteEnthalpy.H b/src/thermophysicalModels/specie/thermo/absoluteEnthalpy/absoluteEnthalpy.H index 98bf51e03..2130d60bc 100644 --- a/src/thermophysicalModels/specie/thermo/absoluteEnthalpy/absoluteEnthalpy.H +++ b/src/thermophysicalModels/specie/thermo/absoluteEnthalpy/absoluteEnthalpy.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -25,8 +25,7 @@ Class Foam::absoluteEnthalpy Description - Thermodynamics mapping class to expose the absolute enthalpy function - as the standard enthalpy function h(T). + Thermodynamics mapping class to expose the absolute enthalpy functions. \*---------------------------------------------------------------------------*/ @@ -70,30 +69,19 @@ public: return "ha"; } - // Absolute enthalpy [J/kmol] - scalar he + // Heat capacity at constant pressure [J/(kg K)] + scalar Cpv ( const Thermo& thermo, const scalar p, const scalar T ) const { - return thermo.ha(p, T); + return thermo.Cp(p, T); } - // Heat capacity at constant pressure [J/(kmol K)] - scalar cpv - ( - const Thermo& thermo, - const scalar p, - const scalar T - ) const - { - return thermo.cp(p, T); - } - - //- cp/cp [] - scalar cpBycpv + //- Cp/Cp [] + scalar CpByCpv ( const Thermo& thermo, const scalar p, diff --git a/src/thermophysicalModels/specie/thermo/absoluteInternalEnergy/absoluteInternalEnergy.H b/src/thermophysicalModels/specie/thermo/absoluteInternalEnergy/absoluteInternalEnergy.H index 6ea5df7dc..c78b61d50 100644 --- a/src/thermophysicalModels/specie/thermo/absoluteInternalEnergy/absoluteInternalEnergy.H +++ b/src/thermophysicalModels/specie/thermo/absoluteInternalEnergy/absoluteInternalEnergy.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -25,8 +25,8 @@ Class Foam::absoluteInternalEnergy Description - Thermodynamics mapping class to expose the absolute internal energy function - as the standard internal energy function e(T). + Thermodynamics mapping class to expose the absolute internal energy + functions. \*---------------------------------------------------------------------------*/ @@ -70,30 +70,19 @@ public: return "ea"; } - // Absolute internal energy [J/kmol] - scalar he + // Heat capacity at constant volume [J/(kg K)] + scalar Cpv ( const Thermo& thermo, const scalar p, const scalar T ) const { - return thermo.ea(p, T); + return thermo.Cv(p, T); } - // Heat capacity at constant volume [J/(kmol K)] - scalar cpv - ( - const Thermo& thermo, - const scalar p, - const scalar T - ) const - { - return thermo.cv(p, T); - } - - //- cp/cv [] - scalar cpBycpv + //- Cp/Cv [] + scalar CpByCpv ( const Thermo& thermo, const scalar p, diff --git a/src/thermophysicalModels/specie/thermo/eConst/eConstThermo.C b/src/thermophysicalModels/specie/thermo/eConst/eConstThermo.C index a004ed0e6..d38693c03 100644 --- a/src/thermophysicalModels/specie/thermo/eConst/eConstThermo.C +++ b/src/thermophysicalModels/specie/thermo/eConst/eConstThermo.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -36,9 +36,6 @@ Foam::eConstThermo::eConstThermo(Istream& is) Hf_(readScalar(is)) { is.check("eConstThermo::eConstThermo(Istream&)"); - - Cv_ *= this->W(); - Hf_ *= this->W(); } @@ -48,10 +45,7 @@ Foam::eConstThermo::eConstThermo(const dictionary& dict) EquationOfState(dict), Cv_(readScalar(dict.subDict("thermodynamics").lookup("Cv"))), Hf_(readScalar(dict.subDict("thermodynamics").lookup("Hf"))) -{ - Cv_ *= this->W(); - Hf_ *= this->W(); -} +{} // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // @@ -62,8 +56,8 @@ void Foam::eConstThermo::write(Ostream& os) const EquationOfState::write(os); dictionary dict("thermodynamics"); - dict.add("Cv", Cv_/this->W()); - dict.add("Hf", Hf_/this->W()); + dict.add("Cv", Cv_); + dict.add("Hf", Hf_); os << indent << dict.dictName() << dict; } @@ -78,7 +72,7 @@ Foam::Ostream& Foam::operator<< ) { os << static_cast(ct) << tab - << ct.Cv_/ct.W() << tab << ct.Hf_/ct.W(); + << ct.Cv_ << tab << ct.Hf_; os.check("Ostream& operator<<(Ostream&, const eConstThermo&)"); return os; diff --git a/src/thermophysicalModels/specie/thermo/eConst/eConstThermo.H b/src/thermophysicalModels/specie/thermo/eConst/eConstThermo.H index 6a99ba435..9f5354ca9 100644 --- a/src/thermophysicalModels/specie/thermo/eConst/eConstThermo.H +++ b/src/thermophysicalModels/specie/thermo/eConst/eConstThermo.H @@ -1,8 +1,8 @@ -/*---------------------------------------------------------------------------*\ +/*---------------------------------------------------------------------------* \ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -55,13 +55,6 @@ inline eConstThermo operator+ const eConstThermo& ); -template -inline eConstThermo operator- -( - const eConstThermo&, - const eConstThermo& -); - template inline eConstThermo operator* ( @@ -152,20 +145,20 @@ public: // Fundamental properties - //- Heat capacity at constant pressure [J/(kmol K)] - inline scalar cp(const scalar p, const scalar T) const; + //- Heat capacity at constant pressure [J/(kg K)] + inline scalar Cp(const scalar p, const scalar T) const; - //- Absolute Enthalpy [J/kmol] - inline scalar ha(const scalar p, const scalar T) const; + //- Absolute Enthalpy [J/kg] + inline scalar Ha(const scalar p, const scalar T) const; - //- Sensible Enthalpy [J/kmol] - inline scalar hs(const scalar p, const scalar T) const; + //- Sensible enthalpy [J/kg] + inline scalar Hs(const scalar p, const scalar T) const; - //- Chemical enthalpy [J/kmol] - inline scalar hc() const; + //- Chemical enthalpy [J/kg] + inline scalar Hc() const; - //- Entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; // I-O @@ -177,7 +170,6 @@ public: // Member operators inline void operator+=(const eConstThermo&); - inline void operator-=(const eConstThermo&); // Friend operators @@ -188,12 +180,6 @@ public: const eConstThermo& ); - friend eConstThermo operator- - ( - const eConstThermo&, - const eConstThermo& - ); - friend eConstThermo operator* ( const scalar, diff --git a/src/thermophysicalModels/specie/thermo/eConst/eConstThermoI.H b/src/thermophysicalModels/specie/thermo/eConst/eConstThermoI.H index ad21fcf45..e6c1b84af 100644 --- a/src/thermophysicalModels/specie/thermo/eConst/eConstThermoI.H +++ b/src/thermophysicalModels/specie/thermo/eConst/eConstThermoI.H @@ -100,53 +100,53 @@ inline Foam::scalar Foam::eConstThermo::limit template -inline Foam::scalar Foam::eConstThermo::cp +inline Foam::scalar Foam::eConstThermo::Cp ( const scalar p, const scalar T ) const { - return Cv_ + this->cpMcv(p, T) + EquationOfState::cp(p, T); + return Cv_ + this->CpMCv(p, T) + EquationOfState::Cp(p, T); } template -inline Foam::scalar Foam::eConstThermo::ha +inline Foam::scalar Foam::eConstThermo::Ha ( const scalar p, const scalar T ) const { - return cp(p, T)*T + Hf_ + EquationOfState::h(p, T); + return Cp(p, T)*T + Hf_ + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::eConstThermo::hs +inline Foam::scalar Foam::eConstThermo::Hs ( const scalar p, const scalar T ) const { - return cp(p, T)*T + EquationOfState::h(p, T); + return Cp(p, T)*T + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::eConstThermo::hc() const +inline Foam::scalar Foam::eConstThermo::Hc() const { return Hf_; } template -inline Foam::scalar Foam::eConstThermo::s +inline Foam::scalar Foam::eConstThermo::S ( const scalar p, const scalar T ) const { - return cp(p, T)*log(T/Tstd) + EquationOfState::s(p, T); + return Cp(p, T)*log(T/Tstd) + EquationOfState::S(p, T); } @@ -158,33 +158,18 @@ inline void Foam::eConstThermo::operator+= const eConstThermo& ct ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); EquationOfState::operator+=(ct); - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = ct.Y()/this->Y(); - Cv_ = molr1*Cv_ + molr2*ct.Cv_; - Hf_ = molr1*Hf_ + molr2*ct.Hf_; -} - - -template -inline void Foam::eConstThermo::operator-= -( - const eConstThermo& ct -) -{ - scalar molr1 = this->nMoles(); - - EquationOfState::operator-=(ct); - - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); - - Cv_ = molr1*Cv_ - molr2*ct.Cv_; - Hf_ = molr1*Hf_ - molr2*ct.Hf_; + Cv_ = Y1*Cv_ + Y2*ct.Cv_; + Hf_ = Y1*Hf_ + Y2*ct.Hf_; + } } @@ -203,38 +188,26 @@ inline Foam::eConstThermo Foam::operator+ + static_cast(ct2) ); - return eConstThermo - ( - eofs, - ct1.nMoles()/eofs.nMoles()*ct1.Cv_ - + ct2.nMoles()/eofs.nMoles()*ct2.Cv_, - ct1.nMoles()/eofs.nMoles()*ct1.Hf_ - + ct2.nMoles()/eofs.nMoles()*ct2.Hf_ - ); -} - - -template -inline Foam::eConstThermo Foam::operator- -( - const eConstThermo& ct1, - const eConstThermo& ct2 -) -{ - EquationOfState eofs - ( - static_cast(ct1) - - static_cast(ct2) - ); - - return eConstThermo - ( - eofs, - ct1.nMoles()/eofs.nMoles()*ct1.Cv_ - - ct2.nMoles()/eofs.nMoles()*ct2.Cv_, - ct1.nMoles()/eofs.nMoles()*ct1.Hf_ - - ct2.nMoles()/eofs.nMoles()*ct2.Hf_ - ); + if (mag(eofs.Y()) < SMALL) + { + return eConstThermo + ( + eofs, + ct1.Cv_, + ct1.Hf_ + ); + } + else + { + return eConstThermo + ( + eofs, + ct1.Y()/eofs.Y()*ct1.Cv_ + + ct2.Y()/eofs.Y()*ct2.Cv_, + ct1.Y()/eofs.Y()*ct1.Hf_ + + ct2.Y()/eofs.Y()*ct2.Hf_ + ); + } } @@ -261,7 +234,20 @@ inline Foam::eConstThermo Foam::operator== const eConstThermo& ct2 ) { - return ct2 - ct1; + EquationOfState eofs + ( + static_cast(ct1) + == static_cast(ct2) + ); + + return eConstThermo + ( + eofs, + ct2.Y()/eofs.Y()*ct2.Cv_ + - ct1.Y()/eofs.Y()*ct1.Cv_, + ct2.Y()/eofs.Y()*ct2.Hf_ + - ct1.Y()/eofs.Y()*ct1.Hf_ + ); } diff --git a/src/thermophysicalModels/specie/thermo/hConst/hConstThermo.C b/src/thermophysicalModels/specie/thermo/hConst/hConstThermo.C index e4c60c18d..2f892cbbf 100644 --- a/src/thermophysicalModels/specie/thermo/hConst/hConstThermo.C +++ b/src/thermophysicalModels/specie/thermo/hConst/hConstThermo.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -36,9 +36,6 @@ Foam::hConstThermo::hConstThermo(Istream& is) Hf_(readScalar(is)) { is.check("hConstThermo::hConstThermo(Istream& is)"); - - Cp_ *= this->W(); - Hf_ *= this->W(); } @@ -48,10 +45,7 @@ Foam::hConstThermo::hConstThermo(const dictionary& dict) EquationOfState(dict), Cp_(readScalar(dict.subDict("thermodynamics").lookup("Cp"))), Hf_(readScalar(dict.subDict("thermodynamics").lookup("Hf"))) -{ - Cp_ *= this->W(); - Hf_ *= this->W(); -} +{} // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // @@ -62,8 +56,8 @@ void Foam::hConstThermo::write(Ostream& os) const EquationOfState::write(os); dictionary dict("thermodynamics"); - dict.add("Cp", Cp_/this->W()); - dict.add("Hf", Hf_/this->W()); + dict.add("Cp", Cp_); + dict.add("Hf", Hf_); os << indent << dict.dictName() << dict; } @@ -78,7 +72,7 @@ Foam::Ostream& Foam::operator<< ) { os << static_cast(ct) << tab - << ct.Cp_/ct.W() << tab << ct.Hf_/ct.W(); + << ct.Cp_ << tab << ct.Hf_; os.check("Ostream& operator<<(Ostream& os, const hConstThermo& ct)"); return os; diff --git a/src/thermophysicalModels/specie/thermo/hConst/hConstThermo.H b/src/thermophysicalModels/specie/thermo/hConst/hConstThermo.H index a83346040..7c04be81e 100644 --- a/src/thermophysicalModels/specie/thermo/hConst/hConstThermo.H +++ b/src/thermophysicalModels/specie/thermo/hConst/hConstThermo.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -53,13 +53,6 @@ inline hConstThermo operator+ const hConstThermo& ); -template -inline hConstThermo operator- -( - const hConstThermo&, - const hConstThermo& -); - template inline hConstThermo operator* ( @@ -145,20 +138,20 @@ public: // Fundamental properties - //- Heat capacity at constant pressure [J/(kmol K)] - inline scalar cp(const scalar p, const scalar T) const; + //- Heat capacity at constant pressure [J/(kg K)] + inline scalar Cp(const scalar p, const scalar T) const; - //- Absolute Enthalpy [J/kmol] - inline scalar ha(const scalar p, const scalar T) const; + //- Absolute Enthalpy [J/kg] + inline scalar Ha(const scalar p, const scalar T) const; - //- Sensible enthalpy [J/kmol] - inline scalar hs(const scalar p, const scalar T) const; + //- Sensible enthalpy [J/kg] + inline scalar Hs(const scalar p, const scalar T) const; - //- Chemical enthalpy [J/kmol] - inline scalar hc() const; + //- Chemical enthalpy [J/kg] + inline scalar Hc() const; - //- Entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; // I-O @@ -170,7 +163,6 @@ public: // Member operators inline void operator+=(const hConstThermo&); - inline void operator-=(const hConstThermo&); // Friend operators @@ -181,12 +173,6 @@ public: const hConstThermo& ); - friend hConstThermo operator- - ( - const hConstThermo&, - const hConstThermo& - ); - friend hConstThermo operator* ( const scalar, diff --git a/src/thermophysicalModels/specie/thermo/hConst/hConstThermoI.H b/src/thermophysicalModels/specie/thermo/hConst/hConstThermoI.H index 1367c7c42..ebed57e43 100644 --- a/src/thermophysicalModels/specie/thermo/hConst/hConstThermoI.H +++ b/src/thermophysicalModels/specie/thermo/hConst/hConstThermoI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -100,50 +100,50 @@ inline Foam::scalar Foam::hConstThermo::limit template -inline Foam::scalar Foam::hConstThermo::cp +inline Foam::scalar Foam::hConstThermo::Cp ( const scalar p, const scalar T ) const { - return Cp_ + EquationOfState::cp(p, T); + return Cp_ + EquationOfState::Cp(p, T); } template -inline Foam::scalar Foam::hConstThermo::ha +inline Foam::scalar Foam::hConstThermo::Ha ( const scalar p, const scalar T ) const { - return Cp_*T + Hf_ + EquationOfState::h(p, T); + return Cp_*T + Hf_ + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::hConstThermo::hs +inline Foam::scalar Foam::hConstThermo::Hs ( const scalar p, const scalar T ) const { - return Cp_*T + EquationOfState::h(p, T); + return Cp_*T + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::hConstThermo::hc() const +inline Foam::scalar Foam::hConstThermo::Hc() const { return Hf_; } template -inline Foam::scalar Foam::hConstThermo::s +inline Foam::scalar Foam::hConstThermo::S ( const scalar p, const scalar T ) const { - return Cp_*log(T/Tstd) + EquationOfState::s(p, T); + return Cp_*log(T/Tstd) + EquationOfState::S(p, T); } @@ -155,33 +155,18 @@ inline void Foam::hConstThermo::operator+= const hConstThermo& ct ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); EquationOfState::operator+=(ct); - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + scalar Y2 = ct.Y()/this->Y(); - Cp_ = molr1*Cp_ + molr2*ct.Cp_; - Hf_ = molr1*Hf_ + molr2*ct.Hf_; -} - - -template -inline void Foam::hConstThermo::operator-= -( - const hConstThermo& ct -) -{ - scalar molr1 = this->nMoles(); - - EquationOfState::operator-=(ct); - - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); - - Cp_ = molr1*Cp_ - molr2*ct.Cp_; - Hf_ = molr1*Hf_ - molr2*ct.Hf_; + Cp_ = Y1*Cp_ + Y2*ct.Cp_; + Hf_ = Y1*Hf_ + Y2*ct.Hf_; + } } @@ -200,38 +185,26 @@ inline Foam::hConstThermo Foam::operator+ + static_cast(ct2) ); - return hConstThermo - ( - eofs, - ct1.nMoles()/eofs.nMoles()*ct1.Cp_ - + ct2.nMoles()/eofs.nMoles()*ct2.Cp_, - ct1.nMoles()/eofs.nMoles()*ct1.Hf_ - + ct2.nMoles()/eofs.nMoles()*ct2.Hf_ - ); -} - - -template -inline Foam::hConstThermo Foam::operator- -( - const hConstThermo& ct1, - const hConstThermo& ct2 -) -{ - EquationOfState eofs - ( - static_cast(ct1) - - static_cast(ct2) - ); - - return hConstThermo - ( - eofs, - ct1.nMoles()/eofs.nMoles()*ct1.Cp_ - - ct2.nMoles()/eofs.nMoles()*ct2.Cp_, - ct1.nMoles()/eofs.nMoles()*ct1.Hf_ - - ct2.nMoles()/eofs.nMoles()*ct2.Hf_ - ); + if (mag(eofs.Y()) < SMALL) + { + return hConstThermo + ( + eofs, + ct1.Cp_, + ct1.Hf_ + ); + } + else + { + return hConstThermo + ( + eofs, + ct1.Y()/eofs.Y()*ct1.Cp_ + + ct2.Y()/eofs.Y()*ct2.Cp_, + ct1.Y()/eofs.Y()*ct1.Hf_ + + ct2.Y()/eofs.Y()*ct2.Hf_ + ); + } } @@ -258,7 +231,20 @@ inline Foam::hConstThermo Foam::operator== const hConstThermo& ct2 ) { - return ct2 - ct1; + EquationOfState eofs + ( + static_cast(ct1) + == static_cast(ct2) + ); + + return hConstThermo + ( + eofs, + ct2.Y()/eofs.Y()*ct2.Cp_ + - ct1.Y()/eofs.Y()*ct1.Cp_, + ct2.Y()/eofs.Y()*ct2.Hf_ + - ct1.Y()/eofs.Y()*ct1.Hf_ + ); } diff --git a/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermo.C b/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermo.C index 511e871bf..0aa43c1f7 100644 --- a/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermo.C +++ b/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermo.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -41,10 +41,6 @@ Foam::hPolynomialThermo::hPolynomialThermo hCoeffs_(), sCoeffs_() { - Hf_ *= this->W(); - Sf_ *= this->W(); - CpCoeffs_ *= this->W(); - hCoeffs_ = CpCoeffs_.integral(); sCoeffs_ = CpCoeffs_.integralMinus1(); @@ -75,10 +71,6 @@ Foam::hPolynomialThermo::hPolynomialThermo hCoeffs_(), sCoeffs_() { - Hf_ *= this->W(); - Sf_ *= this->W(); - CpCoeffs_ *= this->W(); - hCoeffs_ = CpCoeffs_.integral(); sCoeffs_ = CpCoeffs_.integralMinus1(); @@ -101,12 +93,12 @@ void Foam::hPolynomialThermo::write EquationOfState::write(os); dictionary dict("thermodynamics"); - dict.add("Hf", Hf_/this->W()); - dict.add("Sf", Sf_/this->W()); + dict.add("Hf", Hf_); + dict.add("Sf", Sf_); dict.add ( word("CpCoeffs<" + Foam::name(PolySize) + '>'), - CpCoeffs_/this->W() + CpCoeffs_ ); os << indent << dict.dictName() << dict; } @@ -122,10 +114,10 @@ Foam::Ostream& Foam::operator<< ) { os << static_cast(pt) << tab - << pt.Hf_/pt.W() << tab - << pt.Sf_/pt.W() << tab + << pt.Hf_ << tab + << pt.Sf_ << tab << "CpCoeffs<" << Foam::name(PolySize) << '>' << tab - << pt.CpCoeffs_/pt.W(); + << pt.CpCoeffs_/pt; os.check ( diff --git a/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermo.H b/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermo.H index e7d48a6d0..d8acaee18 100644 --- a/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermo.H +++ b/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermo.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -93,13 +93,6 @@ inline hPolynomialThermo operator+ const hPolynomialThermo& ); -template -inline hPolynomialThermo operator- -( - const hPolynomialThermo&, - const hPolynomialThermo& -); - template inline hPolynomialThermo operator* ( @@ -195,20 +188,20 @@ public: // Fundamental properties - //- Heat capacity at constant pressure [J/(kmol K)] - inline scalar cp(const scalar p, const scalar T) const; + //- Heat capacity at constant pressure [J/(kg K)] + inline scalar Cp(const scalar p, const scalar T) const; - //- Absolute Enthalpy [J/kmol] - inline scalar ha(const scalar p, const scalar T) const; + //- Absolute Enthalpy [J/kg] + inline scalar Ha(const scalar p, const scalar T) const; - //- Sensible enthalpy [J/kmol] - inline scalar hs(const scalar p, const scalar T) const; + //- Sensible enthalpy [J/kg] + inline scalar Hs(const scalar p, const scalar T) const; - //- Chemical enthalpy [J/kmol] - inline scalar hc() const; + //- Chemical enthalpy [J/kg] + inline scalar Hc() const; - //- Entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; // I-O @@ -221,7 +214,6 @@ public: inline void operator=(const hPolynomialThermo&); inline void operator+=(const hPolynomialThermo&); - inline void operator-=(const hPolynomialThermo&); inline void operator*=(const scalar); @@ -233,12 +225,6 @@ public: const hPolynomialThermo& ); - friend hPolynomialThermo operator- - ( - const hPolynomialThermo&, - const hPolynomialThermo& - ); - friend hPolynomialThermo operator* ( const scalar, diff --git a/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermoI.H b/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermoI.H index 7cef8ce2b..26049dfc5 100644 --- a/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermoI.H +++ b/src/thermophysicalModels/specie/thermo/hPolynomial/hPolynomialThermoI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -93,37 +93,37 @@ inline Foam::scalar Foam::hPolynomialThermo::limit template -inline Foam::scalar Foam::hPolynomialThermo::cp +inline Foam::scalar Foam::hPolynomialThermo::Cp ( const scalar p, const scalar T ) const { - return CpCoeffs_.value(T) + EquationOfState::cp(p, T); + return CpCoeffs_.value(T) + EquationOfState::Cp(p, T); } template -inline Foam::scalar Foam::hPolynomialThermo::ha +inline Foam::scalar Foam::hPolynomialThermo::Ha ( const scalar p, const scalar T ) const { - return hCoeffs_.value(T) + EquationOfState::h(p, T); + return hCoeffs_.value(T) + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::hPolynomialThermo::hs +inline Foam::scalar Foam::hPolynomialThermo::Hs ( const scalar p, const scalar T ) const { - return ha(p, T) - hc(); + return Ha(p, T) - Hc(); } template -inline Foam::scalar Foam::hPolynomialThermo::hc() +inline Foam::scalar Foam::hPolynomialThermo::Hc() const { return Hf_; @@ -131,13 +131,13 @@ const template -inline Foam::scalar Foam::hPolynomialThermo::s +inline Foam::scalar Foam::hPolynomialThermo::S ( const scalar p, const scalar T ) const { - return sCoeffs_.value(T) + EquationOfState::s(p, T); + return sCoeffs_.value(T) + EquationOfState::S(p, T); } @@ -165,39 +165,21 @@ inline void Foam::hPolynomialThermo::operator+= const hPolynomialThermo& pt ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); EquationOfState::operator+=(pt); - molr1 /= this->nMoles(); - scalar molr2 = pt.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = pt.Y()/this->Y(); - Hf_ = molr1*Hf_ + molr2*pt.Hf_; - Sf_ = molr1*Sf_ + molr2*pt.Sf_; - CpCoeffs_ = molr1*CpCoeffs_ + molr2*pt.CpCoeffs_; - hCoeffs_ = molr1*hCoeffs_ + molr2*pt.hCoeffs_; - sCoeffs_ = molr1*sCoeffs_ + molr2*pt.sCoeffs_; -} - - -template -inline void Foam::hPolynomialThermo::operator-= -( - const hPolynomialThermo& pt -) -{ - scalar molr1 = this->nMoles(); - - EquationOfState::operator-=(pt); - - molr1 /= this->nMoles(); - scalar molr2 = pt.nMoles()/this->nMoles(); - - Hf_ = molr1*Hf_ - molr2*pt.Hf_; - Sf_ = molr1*Sf_ - molr2*pt.Sf_; - CpCoeffs_ = molr1*CpCoeffs_ - molr2*pt.CpCoeffs_; - hCoeffs_ = molr1*hCoeffs_ - molr2*pt.hCoeffs_; - sCoeffs_ = molr1*sCoeffs_ - molr2*pt.sCoeffs_; + Hf_ = Y1*Hf_ + Y2*pt.Hf_; + Sf_ = Y1*Sf_ + Y2*pt.Sf_; + CpCoeffs_ = Y1*CpCoeffs_ + Y2*pt.CpCoeffs_; + hCoeffs_ = Y1*hCoeffs_ + Y2*pt.hCoeffs_; + sCoeffs_ = Y1*sCoeffs_ + Y2*pt.sCoeffs_; + } } @@ -223,43 +205,32 @@ inline Foam::hPolynomialThermo Foam::operator+ EquationOfState eofs = pt1; eofs += pt2; - scalar molr1 = pt1.nMoles()/eofs.nMoles(); - scalar molr2 = pt2.nMoles()/eofs.nMoles(); + if (mag(eofs.Y()) < SMALL) + { + return hPolynomialThermo + ( + eofs, + pt1.Hf_, + pt1.Sf_, + pt1.CpCoeffs_, + pt1.hCoeffs_, + pt1.sCoeffs_ + ); + } + { + const scalar Y1 = pt1.Y()/eofs.Y(); + const scalar Y2 = pt2.Y()/eofs.Y(); - return hPolynomialThermo - ( - eofs, - molr1*pt1.Hf_ + molr2*pt2.Hf_, - molr1*pt1.Sf_ + molr2*pt2.Sf_, - molr1*pt1.CpCoeffs_ + molr2*pt2.CpCoeffs_, - molr1*pt1.hCoeffs_ + molr2*pt2.hCoeffs_, - molr1*pt1.sCoeffs_ + molr2*pt2.sCoeffs_ - ); -} - - -template -inline Foam::hPolynomialThermo Foam::operator- -( - const hPolynomialThermo& pt1, - const hPolynomialThermo& pt2 -) -{ - EquationOfState eofs = pt1; - eofs -= pt2; - - scalar molr1 = pt1.nMoles()/eofs.nMoles(); - scalar molr2 = pt2.nMoles()/eofs.nMoles(); - - return hPolynomialThermo - ( - eofs, - molr1*pt1.Hf_ - molr2*pt2.Hf_, - molr1*pt1.Sf_ - molr2*pt2.Sf_, - molr1*pt1.CpCoeffs_ - molr2*pt2.CpCoeffs_, - molr1*pt1.hCoeffs_ - molr2*pt2.hCoeffs_, - molr1*pt1.sCoeffs_ - molr2*pt2.sCoeffs_ - ); + return hPolynomialThermo + ( + eofs, + Y1*pt1.Hf_ + Y2*pt2.Hf_, + Y1*pt1.Sf_ + Y2*pt2.Sf_, + Y1*pt1.CpCoeffs_ + Y2*pt2.CpCoeffs_, + Y1*pt1.hCoeffs_ + Y2*pt2.hCoeffs_, + Y1*pt1.sCoeffs_ + Y2*pt2.sCoeffs_ + ); + } } @@ -289,7 +260,24 @@ inline Foam::hPolynomialThermo Foam::operator== const hPolynomialThermo& pt2 ) { - return pt2 - pt1; + EquationOfState eofs + ( + static_cast(pt1) + == static_cast(pt2) + ); + + const scalar Y1 = pt1.Y()/eofs.Y(); + const scalar Y2 = pt2.Y()/eofs.Y(); + + return hPolynomialThermo + ( + eofs, + Y2*pt2.Hf_ - Y1*pt1.Hf_, + Y2*pt2.Sf_ - Y1*pt1.Sf_, + Y2*pt2.CpCoeffs_ - Y1*pt1.CpCoeffs_, + Y2*pt2.hCoeffs_ - Y1*pt1.hCoeffs_, + Y2*pt2.sCoeffs_ - Y1*pt1.sCoeffs_ + ); } diff --git a/src/thermophysicalModels/specie/thermo/hPower/hPowerThermo.C b/src/thermophysicalModels/specie/thermo/hPower/hPowerThermo.C index 4ab71b4e6..bab5f226a 100644 --- a/src/thermophysicalModels/specie/thermo/hPower/hPowerThermo.C +++ b/src/thermophysicalModels/specie/thermo/hPower/hPowerThermo.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -37,9 +37,6 @@ Foam::hPowerThermo::hPowerThermo(Istream& is) Hf_(readScalar(is)) { is.check("hPowerThermo::hPowerThermo(Istream& is)"); - - c0_ *= this->W(); - Hf_ *= this->W(); } @@ -54,10 +51,7 @@ Foam::hPowerThermo::hPowerThermo n0_(readScalar(dict.subDict("thermodynamics").lookup("n0"))), Tref_(readScalar(dict.subDict("thermodynamics").lookup("Tref"))), Hf_(readScalar(dict.subDict("thermodynamics").lookup("Hf"))) -{ - c0_ *= this->W(); - Hf_ *= this->W(); -} +{} // * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * // diff --git a/src/thermophysicalModels/specie/thermo/hPower/hPowerThermo.H b/src/thermophysicalModels/specie/thermo/hPower/hPowerThermo.H index 1f0caaff0..be30a506a 100644 --- a/src/thermophysicalModels/specie/thermo/hPower/hPowerThermo.H +++ b/src/thermophysicalModels/specie/thermo/hPower/hPowerThermo.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -61,13 +61,6 @@ inline hPowerThermo operator+ const hPowerThermo& ); -template -inline hPowerThermo operator- -( - const hPowerThermo&, - const hPowerThermo& -); - template inline hPowerThermo operator* ( @@ -167,25 +160,24 @@ public: // Fundamental properties //- Heat capacity at constant pressure [J/(kg K)] - inline scalar cp(const scalar p, const scalar T) const; + inline scalar Cp(const scalar p, const scalar T) const; - //- Absolute enthalpy [J/kmol] - inline scalar ha(const scalar p, const scalar T) const; + //- Absolute Enthalpy [J/kg] + inline scalar Ha(const scalar p, const scalar T) const; //- Sensible enthalpy [J/kg] - inline scalar hs(const scalar p, const scalar T) const; + inline scalar Hs(const scalar p, const scalar T) const; //- Chemical enthalpy [J/kg] - inline scalar hc() const; + inline scalar Hc() const; - //- Entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; // Member operators inline void operator+=(const hPowerThermo&); - inline void operator-=(const hPowerThermo&); // Friend operators @@ -196,12 +188,6 @@ public: const hPowerThermo& ); - friend hPowerThermo operator- - ( - const hPowerThermo&, - const hPowerThermo& - ); - friend hPowerThermo operator* ( const scalar, diff --git a/src/thermophysicalModels/specie/thermo/hPower/hPowerThermoI.H b/src/thermophysicalModels/specie/thermo/hPower/hPowerThermoI.H index c9114a1dd..e5160d973 100644 --- a/src/thermophysicalModels/specie/thermo/hPower/hPowerThermoI.H +++ b/src/thermophysicalModels/specie/thermo/hPower/hPowerThermoI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -125,53 +125,53 @@ inline Foam::scalar Foam::hPowerThermo::limit template -inline Foam::scalar Foam::hPowerThermo::cp +inline Foam::scalar Foam::hPowerThermo::Cp ( const scalar p, const scalar T ) const { - return c0_*pow(T/Tref_, n0_) + EquationOfState::cp(p, T); + return c0_*pow(T/Tref_, n0_) + EquationOfState::Cp(p, T); } template -inline Foam::scalar Foam::hPowerThermo::ha +inline Foam::scalar Foam::hPowerThermo::Ha ( const scalar p, const scalar T ) const { - return hs(p, T) + hc(); + return Hs(p, T) + Hc(); } template -inline Foam::scalar Foam::hPowerThermo::hs +inline Foam::scalar Foam::hPowerThermo::Hs ( const scalar p, const scalar T ) const { return c0_*(pow(T, n0_ + 1) - pow(Tstd, n0_ + 1))/(pow(Tref_, n0_)*(n0_ + 1)) - + EquationOfState::h(p, T); + + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::hPowerThermo::hc() const +inline Foam::scalar Foam::hPowerThermo::Hc() const { return Hf_; } template -inline Foam::scalar Foam::hPowerThermo::s +inline Foam::scalar Foam::hPowerThermo::S ( const scalar p, const scalar T ) const { return c0_*(pow(T, n0_) - pow(Tstd, n0_))/(pow(Tref_, n0_)*n0_) - + EquationOfState::s(p, T); + + EquationOfState::S(p, T); } @@ -183,36 +183,20 @@ inline void Foam::hPowerThermo::operator+= const hPowerThermo& ct ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); EquationOfState::operator+=(ct); - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); - Hf_ = molr1*Hf_ + molr2*ct.Hf_; - c0_ = molr1*c0_ + molr2*ct.c0_; - n0_ = molr1*n0_ + molr2*ct.n0_; - Tref_ = molr1*Tref_ + molr2*ct.Tref_; -} + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = ct.Y()/this->Y(); - -template -inline void Foam::hPowerThermo::operator-= -( - const hPowerThermo& ct -) -{ - scalar molr1 = this->nMoles(); - - EquationOfState::operator-=(ct); - - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); - - Hf_ = molr1*Hf_ - molr2*ct.Hf_; - c0_ = (molr1*c0_ - molr2*ct.c0_); - n0_ = (molr1*n0_ - molr2*ct.n0_); - Tref_ = (molr1*Tref_ - molr2*ct.Tref_); + Hf_ = Y1*Hf_ + Y2*ct.Hf_; + c0_ = Y1*c0_ + Y2*ct.c0_; + n0_ = Y1*n0_ + Y2*ct.n0_; + Tref_ = Y1*Tref_ + Y2*ct.Tref_; + } } @@ -231,46 +215,32 @@ inline Foam::hPowerThermo Foam::operator+ + static_cast(ct2) ); - return hPowerThermo - ( - eofs, - ct1.nMoles()/eofs.nMoles()*ct1.c0_ - + ct2.nMoles()/eofs.nMoles()*ct2.c0_, - ct1.nMoles()/eofs.nMoles()*ct1.n0_ - + ct2.nMoles()/eofs.nMoles()*ct2.n0_, - ct1.nMoles()/eofs.nMoles()*ct1.Tref_ - + ct2.nMoles()/eofs.nMoles()*ct2.Tref_, - ct1.nMoles()/eofs.nMoles()*ct1.Hf_ - + ct2.nMoles()/eofs.nMoles()*ct2.Hf_ - ); -} - - -template -inline Foam::hPowerThermo Foam::operator- -( - const hPowerThermo& ct1, - const hPowerThermo& ct2 -) -{ - EquationOfState eofs - ( - static_cast(ct1) - + static_cast(ct2) - ); - - return hPowerThermo - ( - eofs, - ct1.nMoles()/eofs.nMoles()*ct1.c0_ - - ct2.nMoles()/eofs.nMoles()*ct2.c0_, - ct1.nMoles()/eofs.nMoles()*ct1.n0_ - - ct2.nMoles()/eofs.nMoles()*ct2.n0_, - ct1.nMoles()/eofs.nMoles()*ct1.Tref_ - - ct2.nMoles()/eofs.nMoles()*ct2.Tref_, - ct1.nMoles()/eofs.nMoles()*ct1.Hf_ - - ct2.nMoles()/eofs.nMoles()*ct2.Hf_ - ); + if (mag(eofs.Y()) < SMALL) + { + return hPowerThermo + ( + eofs, + ct1.c0_, + ct1.n0_, + ct1.Tref_, + ct1.Hf_ + ); + } + else + { + return hPowerThermo + ( + eofs, + ct1.Y()/eofs.Y()*ct1.c0_ + + ct2.Y()/eofs.Y()*ct2.c0_, + ct1.Y()/eofs.Y()*ct1.n0_ + + ct2.Y()/eofs.Y()*ct2.n0_, + ct1.Y()/eofs.Y()*ct1.Tref_ + + ct2.Y()/eofs.Y()*ct2.Tref_, + ct1.Y()/eofs.Y()*ct1.Hf_ + + ct2.Y()/eofs.Y()*ct2.Hf_ + ); + } } @@ -299,7 +269,24 @@ inline Foam::hPowerThermo Foam::operator== const hPowerThermo& ct2 ) { - return ct2 - ct1; + EquationOfState eofs + ( + static_cast(ct1) + == static_cast(ct2) + ); + + return hPowerThermo + ( + eofs, + ct2.Y()/eofs.Y()*ct2.c0_ + - ct1.Y()/eofs.Y()*ct1.c0_, + ct2.Y()/eofs.Y()*ct2.n0_ + - ct1.Y()/eofs.Y()*ct1.n0_, + ct2.Y()/eofs.Y()*ct2.Tref_ + - ct1.Y()/eofs.Y()*ct1.Tref_, + ct2.Y()/eofs.Y()*ct2.Hf_ + - ct1.Y()/eofs.Y()*ct1.Hf_ + ); } diff --git a/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermo.C b/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermo.C index fe83f1794..a73c8748f 100644 --- a/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermo.C +++ b/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermo.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2015-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -38,10 +38,6 @@ Foam::hRefConstThermo::hRefConstThermo(Istream& is) Href_(readScalar(is)) { is.check("hRefConstThermo::hRefConstThermo(Istream& is)"); - - Cp_ *= this->W(); - Hf_ *= this->W(); - Href_ *= this->W(); } @@ -53,11 +49,7 @@ Foam::hRefConstThermo::hRefConstThermo(const dictionary& dict) Hf_(readScalar(dict.subDict("thermodynamics").lookup("Hf"))), Tref_(readScalar(dict.subDict("thermodynamics").lookup("Tref"))), Href_(readScalar(dict.subDict("thermodynamics").lookup("Href"))) -{ - Cp_ *= this->W(); - Hf_ *= this->W(); - Href_ *= this->W(); -} +{} // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // @@ -68,10 +60,10 @@ void Foam::hRefConstThermo::write(Ostream& os) const EquationOfState::write(os); dictionary dict("thermodynamics"); - dict.add("Cp", Cp_/this->W()); - dict.add("Hf", Hf_/this->W()); + dict.add("Cp", Cp_); + dict.add("Hf", Hf_); dict.add("Tref", Tref_); - dict.add("Href", Href_/this->W()); + dict.add("Href", Href_); os << indent << dict.dictName() << dict; } @@ -86,8 +78,8 @@ Foam::Ostream& Foam::operator<< ) { os << static_cast(ct) << tab - << ct.Cp_/ct.W() << tab << ct.Hf_/ct.W() << tab - << ct.Tref_ << tab << ct.Href_/ct.W(); + << ct.Cp_ << tab << ct.Hf_ << tab + << ct.Tref_ << tab << ct.Href_; os.check("Ostream& operator<<(Ostream& os, const hRefConstThermo& ct)"); return os; diff --git a/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermo.H b/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermo.H index 04b9d311b..0bb182038 100644 --- a/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermo.H +++ b/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermo.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2015-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2015-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -53,13 +53,6 @@ inline hRefConstThermo operator+ const hRefConstThermo& ); -template -inline hRefConstThermo operator- -( - const hRefConstThermo&, - const hRefConstThermo& -); - template inline hRefConstThermo operator* ( @@ -149,20 +142,20 @@ public: // Fundamental properties - //- Heat capacity at constant pressure [J/(kmol K)] - inline scalar cp(const scalar p, const scalar T) const; + //- Heat capacity at constant pressure [J/(kg K)] + inline scalar Cp(const scalar p, const scalar T) const; - //- Absolute Enthalpy [J/kmol] - inline scalar ha(const scalar p, const scalar T) const; + //- Absolute Enthalpy [J/kg] + inline scalar Ha(const scalar p, const scalar T) const; - //- Sensible enthalpy [J/kmol] - inline scalar hs(const scalar p, const scalar T) const; + //- Sensible enthalpy [J/kg] + inline scalar Hs(const scalar p, const scalar T) const; - //- Chemical enthalpy [J/kmol] - inline scalar hc() const; + //- Chemical enthalpy [J/kg] + inline scalar Hc() const; - //- Entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; // I-O @@ -174,7 +167,6 @@ public: // Member operators inline void operator+=(const hRefConstThermo&); - inline void operator-=(const hRefConstThermo&); // Friend operators @@ -185,12 +177,6 @@ public: const hRefConstThermo& ); - friend hRefConstThermo operator- - ( - const hRefConstThermo&, - const hRefConstThermo& - ); - friend hRefConstThermo operator* ( const scalar, diff --git a/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermoI.H b/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermoI.H index 29bd2c975..941c4b5e8 100644 --- a/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermoI.H +++ b/src/thermophysicalModels/specie/thermo/hRefConst/hRefConstThermoI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2015-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2015-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -106,50 +106,50 @@ inline Foam::scalar Foam::hRefConstThermo::limit template -inline Foam::scalar Foam::hRefConstThermo::cp +inline Foam::scalar Foam::hRefConstThermo::Cp ( const scalar p, const scalar T ) const { - return Cp_ + EquationOfState::cp(p, T); + return Cp_ + EquationOfState::Cp(p, T); } template -inline Foam::scalar Foam::hRefConstThermo::ha +inline Foam::scalar Foam::hRefConstThermo::Ha ( const scalar p, const scalar T ) const { - return Cp_*(T-Tref_) + Href_ + Hf_ + EquationOfState::h(p, T); + return Cp_*(T-Tref_) + Href_ + Hf_ + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::hRefConstThermo::hs +inline Foam::scalar Foam::hRefConstThermo::Hs ( const scalar p, const scalar T ) const { - return Cp_*(T-Tref_) + Href_ + EquationOfState::h(p, T); + return Cp_*(T-Tref_) + Href_ + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::hRefConstThermo::hc() const +inline Foam::scalar Foam::hRefConstThermo::Hc() const { return Hf_; } template -inline Foam::scalar Foam::hRefConstThermo::s +inline Foam::scalar Foam::hRefConstThermo::S ( const scalar p, const scalar T ) const { - return Cp_*log(T/Tstd) + EquationOfState::s(p, T); + return Cp_*log(T/Tstd) + EquationOfState::S(p, T); } @@ -161,33 +161,18 @@ inline void Foam::hRefConstThermo::operator+= const hRefConstThermo& ct ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); EquationOfState::operator+=(ct); - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + const scalar Y2 = ct.Y()/this->Y(); - Cp_ = molr1*Cp_ + molr2*ct.Cp_; - Hf_ = molr1*Hf_ + molr2*ct.Hf_; -} - - -template -inline void Foam::hRefConstThermo::operator-= -( - const hRefConstThermo& ct -) -{ - scalar molr1 = this->nMoles(); - - EquationOfState::operator-=(ct); - - molr1 /= this->nMoles(); - scalar molr2 = ct.nMoles()/this->nMoles(); - - Cp_ = molr1*Cp_ - molr2*ct.Cp_; - Hf_ = molr1*Hf_ - molr2*ct.Hf_; + Cp_ = Y1*Cp_ + Y2*ct.Cp_; + Hf_ = Y1*Hf_ + Y2*ct.Hf_; + } } @@ -206,42 +191,32 @@ inline Foam::hRefConstThermo Foam::operator+ + static_cast(ct2) ); - return hRefConstThermo - ( - eofs, - ct1.nMoles()/eofs.nMoles()*ct1.Cp_ - + ct2.nMoles()/eofs.nMoles()*ct2.Cp_, - ct1.nMoles()/eofs.nMoles()*ct1.Hf_ - + ct2.nMoles()/eofs.nMoles()*ct2.Hf_, - ct1.nMoles()/eofs.nMoles()*ct1.Tref_ - + ct2.nMoles()/eofs.nMoles()*ct2.Tref_, - ct1.nMoles()/eofs.nMoles()*ct1.Href_ - + ct2.nMoles()/eofs.nMoles()*ct2.Href_ - ); -} - - -template -inline Foam::hRefConstThermo Foam::operator- -( - const hRefConstThermo& ct1, - const hRefConstThermo& ct2 -) -{ - EquationOfState eofs - ( - static_cast(ct1) - - static_cast(ct2) - ); - - return hRefConstThermo - ( - eofs, - ct1.nMoles()/eofs.nMoles()*ct1.Cp_ - - ct2.nMoles()/eofs.nMoles()*ct2.Cp_, - ct1.nMoles()/eofs.nMoles()*ct1.Hf_ - - ct2.nMoles()/eofs.nMoles()*ct2.Hf_ - ); + if (mag(eofs.Y()) < SMALL) + { + return hRefConstThermo + ( + eofs, + ct1.Cp_, + ct1.Hf_, + ct1.Tref_, + ct1.Href_ + ); + } + else + { + return hRefConstThermo + ( + eofs, + ct1.Y()/eofs.Y()*ct1.Cp_ + + ct2.Y()/eofs.Y()*ct2.Cp_, + ct1.Y()/eofs.Y()*ct1.Hf_ + + ct2.Y()/eofs.Y()*ct2.Hf_, + ct1.Y()/eofs.Y()*ct1.Tref_ + + ct2.Y()/eofs.Y()*ct2.Tref_, + ct1.Y()/eofs.Y()*ct1.Href_ + + ct2.Y()/eofs.Y()*ct2.Href_ + ); + } } @@ -270,7 +245,20 @@ inline Foam::hRefConstThermo Foam::operator== const hRefConstThermo& ct2 ) { - return ct2 - ct1; + EquationOfState eofs + ( + static_cast(ct1) + == static_cast(ct2) + ); + + return hRefConstThermo + ( + eofs, + ct2.Y()/eofs.Y()*ct2.Cp_ + - ct1.Y()/eofs.Y()*ct1.Cp_, + ct2.Y()/eofs.Y()*ct2.Hf_ + - ct1.Y()/eofs.Y()*ct1.Hf_ + ); } diff --git a/src/thermophysicalModels/specie/thermo/janaf/janafThermo.C b/src/thermophysicalModels/specie/thermo/janaf/janafThermo.C index 63c379825..44c053e0f 100644 --- a/src/thermophysicalModels/specie/thermo/janaf/janafThermo.C +++ b/src/thermophysicalModels/specie/thermo/janaf/janafThermo.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2015 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -56,31 +56,6 @@ void Foam::janafThermo::checkInputData() const // * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // -template -Foam::janafThermo::janafThermo(Istream& is) -: - EquationOfState(is), - Tlow_(readScalar(is)), - Thigh_(readScalar(is)), - Tcommon_(readScalar(is)) -{ - checkInputData(); - - forAll(highCpCoeffs_, i) - { - is >> highCpCoeffs_[i]; - } - - forAll(lowCpCoeffs_, i) - { - is >> lowCpCoeffs_[i]; - } - - // Check state of Istream - is.check("janafThermo::janafThermo(Istream& is)"); -} - - template Foam::janafThermo::janafThermo(const dictionary& dict) : @@ -91,6 +66,13 @@ Foam::janafThermo::janafThermo(const dictionary& dict) highCpCoeffs_(dict.subDict("thermodynamics").lookup("highCpCoeffs")), lowCpCoeffs_(dict.subDict("thermodynamics").lookup("lowCpCoeffs")) { + // Convert coefficients to mass-basis + for (label coefLabel=0; coefLabelR(); + lowCpCoeffs_[coefLabel] *= this->R(); + } + checkInputData(); } @@ -102,12 +84,21 @@ void Foam::janafThermo::write(Ostream& os) const { EquationOfState::write(os); + // Convert coefficients back to dimensionless form + coeffArray highCpCoeffs; + coeffArray lowCpCoeffs; + for (label coefLabel=0; coefLabelR(); + lowCpCoeffs[coefLabel] = lowCpCoeffs_[coefLabel]/this->R(); + } + dictionary dict("thermodynamics"); dict.add("Tlow", Tlow_); dict.add("Thigh", Thigh_); dict.add("Tcommon", Tcommon_); - dict.add("highCpCoeffs", highCpCoeffs_); - dict.add("lowCpCoeffs", lowCpCoeffs_); + dict.add("highCpCoeffs", highCpCoeffs); + dict.add("lowCpCoeffs", lowCpCoeffs); os << indent << dict.dictName() << dict; } @@ -130,14 +121,14 @@ Foam::Ostream& Foam::operator<< forAll(jt.highCpCoeffs_, i) { - os << jt.highCpCoeffs_[i] << ' '; + os << jt.highCpCoeffs_[i]/jt.R() << ' '; } os << nl << " "; forAll(jt.lowCpCoeffs_, i) { - os << jt.lowCpCoeffs_[i] << ' '; + os << jt.lowCpCoeffs_[i]/jt.R() << ' '; } os << endl; diff --git a/src/thermophysicalModels/specie/thermo/janaf/janafThermo.H b/src/thermophysicalModels/specie/thermo/janaf/janafThermo.H index 34f3777c5..f16b76ebf 100644 --- a/src/thermophysicalModels/specie/thermo/janaf/janafThermo.H +++ b/src/thermophysicalModels/specie/thermo/janaf/janafThermo.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -56,13 +56,6 @@ inline janafThermo operator+ const janafThermo& ); -template -inline janafThermo operator- -( - const janafThermo&, - const janafThermo& -); - template inline janafThermo operator* ( @@ -135,12 +128,10 @@ public: const scalar Thigh, const scalar Tcommon, const coeffArray& highCpCoeffs, - const coeffArray& lowCpCoeffs + const coeffArray& lowCpCoeffs, + const bool convertCoeffs = false ); - //- Construct from Istream - janafThermo(Istream&); - //- Construct from dictionary janafThermo(const dictionary& dict); @@ -180,20 +171,20 @@ public: // Fundamental properties - //- Heat capacity at constant pressure [J/(kmol K)] - inline scalar cp(const scalar p, const scalar T) const; + //- Heat capacity at constant pressure [J/(kg K)] + inline scalar Cp(const scalar p, const scalar T) const; - //- Absolute Enthalpy [J/kmol] - inline scalar ha(const scalar p, const scalar T) const; + //- Absolute Enthalpy [J/kg] + inline scalar Ha(const scalar p, const scalar T) const; - //- Sensible enthalpy [J/kmol] - inline scalar hs(const scalar p, const scalar T) const; + //- Sensible enthalpy [J/kg] + inline scalar Hs(const scalar p, const scalar T) const; - //- Chemical enthalpy [J/kmol] - inline scalar hc() const; + //- Chemical enthalpy [J/kg] + inline scalar Hc() const; - //- Entropy [J/(kmol K)] - inline scalar s(const scalar p, const scalar T) const; + //- Entropy [J/(kg K)] + inline scalar S(const scalar p, const scalar T) const; // I-O @@ -205,7 +196,6 @@ public: // Member operators inline void operator+=(const janafThermo&); - inline void operator-=(const janafThermo&); // Friend operators @@ -216,12 +206,6 @@ public: const janafThermo& ); - friend janafThermo operator- - ( - const janafThermo&, - const janafThermo& - ); - friend janafThermo operator* ( const scalar, diff --git a/src/thermophysicalModels/specie/thermo/janaf/janafThermoI.H b/src/thermophysicalModels/specie/thermo/janaf/janafThermoI.H index b3fd676a2..8935b0468 100644 --- a/src/thermophysicalModels/specie/thermo/janaf/janafThermoI.H +++ b/src/thermophysicalModels/specie/thermo/janaf/janafThermoI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -36,7 +36,8 @@ inline Foam::janafThermo::janafThermo const scalar Thigh, const scalar Tcommon, const typename janafThermo::coeffArray& highCpCoeffs, - const typename janafThermo::coeffArray& lowCpCoeffs + const typename janafThermo::coeffArray& lowCpCoeffs, + const bool convertCoeffs ) : EquationOfState(st), @@ -44,10 +45,21 @@ inline Foam::janafThermo::janafThermo Thigh_(Thigh), Tcommon_(Tcommon) { - for (label coefLabel=0; coefLabelR(); + lowCpCoeffs_[coefLabel] = lowCpCoeffs[coefLabel]*this->R(); + } + } + else + { + for (label coefLabel=0; coefLabel::lowCpCoeffs() const template -inline Foam::scalar Foam::janafThermo::cp +inline Foam::scalar Foam::janafThermo::Cp ( const scalar p, const scalar T @@ -163,44 +175,43 @@ inline Foam::scalar Foam::janafThermo::cp { const coeffArray& a = coeffs(T); return - RR*((((a[4]*T + a[3])*T + a[2])*T + a[1])*T + a[0]) - + EquationOfState::cp(p, T); + ((((a[4]*T + a[3])*T + a[2])*T + a[1])*T + a[0]) + + EquationOfState::Cp(p, T); } template -inline Foam::scalar Foam::janafThermo::ha +inline Foam::scalar Foam::janafThermo::Ha ( const scalar p, const scalar T ) const { const coeffArray& a = coeffs(T); - return RR* + return ( ((((a[4]/5.0*T + a[3]/4.0)*T + a[2]/3.0)*T + a[1]/2.0)*T + a[0])*T + a[5] - ) - + EquationOfState::h(p, T); + ) + EquationOfState::H(p, T); } template -inline Foam::scalar Foam::janafThermo::hs +inline Foam::scalar Foam::janafThermo::Hs ( const scalar p, const scalar T ) const { - return ha(p, T) - hc(); + return Ha(p, T) - Hc(); } template -inline Foam::scalar Foam::janafThermo::hc() const +inline Foam::scalar Foam::janafThermo::Hc() const { const coeffArray& a = lowCpCoeffs_; - return RR* + return ( ( (((a[4]/5.0*Tstd + a[3]/4.0)*Tstd + a[2]/3.0)*Tstd + a[1]/2.0)*Tstd @@ -211,7 +222,7 @@ inline Foam::scalar Foam::janafThermo::hc() const template -inline Foam::scalar Foam::janafThermo::s +inline Foam::scalar Foam::janafThermo::S ( const scalar p, const scalar T @@ -219,12 +230,10 @@ inline Foam::scalar Foam::janafThermo::s { const coeffArray& a = coeffs(T); return - RR* ( (((a[4]/4.0*T + a[3]/3.0)*T + a[2]/2.0)*T + a[1])*T + a[0]*log(T) + a[6] - ) - + EquationOfState::s(p, T); + ) + EquationOfState::S(p, T); } @@ -236,84 +245,47 @@ inline void Foam::janafThermo::operator+= const janafThermo& jt ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); EquationOfState::operator+=(jt); - molr1 /= this->nMoles(); - scalar molr2 = jt.nMoles()/this->nMoles(); - - Tlow_ = max(Tlow_, jt.Tlow_); - Thigh_ = min(Thigh_, jt.Thigh_); - - if (janafThermo::debug && notEqual(Tcommon_, jt.Tcommon_)) + if (mag(this->Y()) > SMALL) { - FatalErrorInFunction - << "Tcommon " << Tcommon_ << " for " - << (this->name().size() ? this->name() : "others") - << " != " << jt.Tcommon_ << " for " - << (jt.name().size() ? jt.name() : "others") - << exit(FatalError); - } + Y1 /= this->Y(); + const scalar Y2 = jt.Y()/this->Y(); - for - ( - label coefLabel=0; - coefLabel::nCoeffs_; - coefLabel++ - ) - { - highCpCoeffs_[coefLabel] = - molr1*highCpCoeffs_[coefLabel] - + molr2*jt.highCpCoeffs_[coefLabel]; + Tlow_ = max(Tlow_, jt.Tlow_); + Thigh_ = min(Thigh_, jt.Thigh_); - lowCpCoeffs_[coefLabel] = - molr1*lowCpCoeffs_[coefLabel] - + molr2*jt.lowCpCoeffs_[coefLabel]; - } -} + if + ( + janafThermo::debug + && notEqual(Tcommon_, jt.Tcommon_) + ) + { + FatalErrorInFunction + << "Tcommon " << Tcommon_ << " for " + << (this->name().size() ? this->name() : "others") + << " != " << jt.Tcommon_ << " for " + << (jt.name().size() ? jt.name() : "others") + << exit(FatalError); + } + for + ( + label coefLabel=0; + coefLabel::nCoeffs_; + coefLabel++ + ) + { + highCpCoeffs_[coefLabel] = + Y1*highCpCoeffs_[coefLabel] + + Y2*jt.highCpCoeffs_[coefLabel]; -template -inline void Foam::janafThermo::operator-= -( - const janafThermo& jt -) -{ - scalar molr1 = this->nMoles(); - - EquationOfState::operator-=(jt); - - molr1 /= this->nMoles(); - scalar molr2 = jt.nMoles()/this->nMoles(); - - Tlow_ = max(Tlow_, jt.Tlow_); - Thigh_ = min(Thigh_, jt.Thigh_); - - if (janafThermo::debug && notEqual(Tcommon_, jt.Tcommon_)) - { - FatalErrorInFunction - << "Tcommon " << Tcommon_ << " for " - << (this->name().size() ? this->name() : "others") - << " != " << jt.Tcommon_ << " for " - << (jt.name().size() ? jt.name() : "others") - << exit(FatalError); - } - - for - ( - label coefLabel=0; - coefLabel::nCoeffs_; - coefLabel++ - ) - { - highCpCoeffs_[coefLabel] = - molr1*highCpCoeffs_[coefLabel] - - molr2*jt.highCpCoeffs_[coefLabel]; - - lowCpCoeffs_[coefLabel] = - molr1*lowCpCoeffs_[coefLabel] - - molr2*jt.lowCpCoeffs_[coefLabel]; + lowCpCoeffs_[coefLabel] = + Y1*lowCpCoeffs_[coefLabel] + + Y2*jt.lowCpCoeffs_[coefLabel]; + } } } @@ -330,109 +302,66 @@ inline Foam::janafThermo Foam::operator+ EquationOfState eofs = jt1; eofs += jt2; - scalar molr1 = jt1.nMoles()/eofs.nMoles(); - scalar molr2 = jt2.nMoles()/eofs.nMoles(); - - typename janafThermo::coeffArray highCpCoeffs; - typename janafThermo::coeffArray lowCpCoeffs; - - for - ( - label coefLabel=0; - coefLabel::nCoeffs_; - coefLabel++ - ) + if (mag(eofs.Y()) < SMALL) { - highCpCoeffs[coefLabel] = - molr1*jt1.highCpCoeffs_[coefLabel] - + molr2*jt2.highCpCoeffs_[coefLabel]; - - lowCpCoeffs[coefLabel] = - molr1*jt1.lowCpCoeffs_[coefLabel] - + molr2*jt2.lowCpCoeffs_[coefLabel]; + return janafThermo + ( + eofs, + jt1.Tlow_, + jt1.Thigh_, + jt1.Tcommon_, + jt1.highCpCoeffs_, + jt1.lowCpCoeffs_ + ); } - - if - ( - janafThermo::debug - && notEqual(jt1.Tcommon_, jt2.Tcommon_) - ) + else { - FatalErrorInFunction - << "Tcommon " << jt1.Tcommon_ << " for " - << (jt1.name().size() ? jt1.name() : "others") - << " != " << jt2.Tcommon_ << " for " - << (jt2.name().size() ? jt2.name() : "others") - << exit(FatalError); + const scalar Y1 = jt1.Y()/eofs.Y(); + const scalar Y2 = jt2.Y()/eofs.Y(); + + typename janafThermo::coeffArray highCpCoeffs; + typename janafThermo::coeffArray lowCpCoeffs; + + for + ( + label coefLabel=0; + coefLabel::nCoeffs_; + coefLabel++ + ) + { + highCpCoeffs[coefLabel] = + Y1*jt1.highCpCoeffs_[coefLabel] + + Y2*jt2.highCpCoeffs_[coefLabel]; + + lowCpCoeffs[coefLabel] = + Y1*jt1.lowCpCoeffs_[coefLabel] + + Y2*jt2.lowCpCoeffs_[coefLabel]; + } + + if + ( + janafThermo::debug + && notEqual(jt1.Tcommon_, jt2.Tcommon_) + ) + { + FatalErrorInFunction + << "Tcommon " << jt1.Tcommon_ << " for " + << (jt1.name().size() ? jt1.name() : "others") + << " != " << jt2.Tcommon_ << " for " + << (jt2.name().size() ? jt2.name() : "others") + << exit(FatalError); + } + + return janafThermo + ( + eofs, + max(jt1.Tlow_, jt2.Tlow_), + min(jt1.Thigh_, jt2.Thigh_), + jt1.Tcommon_, + highCpCoeffs, + lowCpCoeffs + ); } - - return janafThermo - ( - eofs, - max(jt1.Tlow_, jt2.Tlow_), - min(jt1.Thigh_, jt2.Thigh_), - jt1.Tcommon_, - highCpCoeffs, - lowCpCoeffs - ); -} - - -template -inline Foam::janafThermo Foam::operator- -( - const janafThermo& jt1, - const janafThermo& jt2 -) -{ - EquationOfState eofs = jt1; - eofs -= jt2; - - scalar molr1 = jt1.nMoles()/eofs.nMoles(); - scalar molr2 = jt2.nMoles()/eofs.nMoles(); - - typename janafThermo::coeffArray highCpCoeffs; - typename janafThermo::coeffArray lowCpCoeffs; - - for - ( - label coefLabel=0; - coefLabel::nCoeffs_; - coefLabel++ - ) - { - highCpCoeffs[coefLabel] = - molr1*jt1.highCpCoeffs_[coefLabel] - - molr2*jt2.highCpCoeffs_[coefLabel]; - - lowCpCoeffs[coefLabel] = - molr1*jt1.lowCpCoeffs_[coefLabel] - - molr2*jt2.lowCpCoeffs_[coefLabel]; - } - - if - ( - janafThermo::debug - && notEqual(jt1.Tcommon_, jt2.Tcommon_) - ) - { - FatalErrorInFunction - << "Tcommon " << jt1.Tcommon_ << " for " - << (jt1.name().size() ? jt1.name() : "others") - << " != " << jt2.Tcommon_ << " for " - << (jt2.name().size() ? jt2.name() : "others") - << exit(FatalError); - } - - return janafThermo - ( - eofs, - max(jt1.Tlow_, jt2.Tlow_), - min(jt1.Thigh_, jt2.Thigh_), - jt1.Tcommon_, - highCpCoeffs, - lowCpCoeffs - ); } @@ -462,7 +391,57 @@ inline Foam::janafThermo Foam::operator== const janafThermo& jt2 ) { - return jt2 - jt1; + EquationOfState eofs + ( + static_cast(jt1) + == static_cast(jt2) + ); + + const scalar Y1 = jt2.Y()/eofs.Y(); + const scalar Y2 = jt1.Y()/eofs.Y(); + + typename janafThermo::coeffArray highCpCoeffs; + typename janafThermo::coeffArray lowCpCoeffs; + + for + ( + label coefLabel=0; + coefLabel::nCoeffs_; + coefLabel++ + ) + { + highCpCoeffs[coefLabel] = + Y1*jt2.highCpCoeffs_[coefLabel] + - Y2*jt1.highCpCoeffs_[coefLabel]; + + lowCpCoeffs[coefLabel] = + Y1*jt2.lowCpCoeffs_[coefLabel] + - Y2*jt1.lowCpCoeffs_[coefLabel]; + } + + if + ( + janafThermo::debug + && notEqual(jt2.Tcommon_, jt1.Tcommon_) + ) + { + FatalErrorInFunction + << "Tcommon " << jt2.Tcommon_ << " for " + << (jt2.name().size() ? jt2.name() : "others") + << " != " << jt1.Tcommon_ << " for " + << (jt1.name().size() ? jt1.name() : "others") + << exit(FatalError); + } + + return janafThermo + ( + eofs, + max(jt2.Tlow_, jt1.Tlow_), + min(jt2.Thigh_, jt1.Thigh_), + jt2.Tcommon_, + highCpCoeffs, + lowCpCoeffs + ); } diff --git a/src/thermophysicalModels/specie/thermo/sensibleEnthalpy/sensibleEnthalpy.H b/src/thermophysicalModels/specie/thermo/sensibleEnthalpy/sensibleEnthalpy.H index 07cf5a276..1b77cd40a 100644 --- a/src/thermophysicalModels/specie/thermo/sensibleEnthalpy/sensibleEnthalpy.H +++ b/src/thermophysicalModels/specie/thermo/sensibleEnthalpy/sensibleEnthalpy.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -25,8 +25,7 @@ Class Foam::sensibleEnthalpy Description - Thermodynamics mapping class to expose the sensible enthalpy function - as the standard enthalpy function h(T). + Thermodynamics mapping class to expose the sensible enthalpy functions. \*---------------------------------------------------------------------------*/ @@ -70,30 +69,19 @@ public: return "h"; } - // Sensible enthalpy [J/kmol] - scalar he + // Heat capacity at constant pressure [J/(kg K)] + scalar Cpv ( const Thermo& thermo, const scalar p, const scalar T ) const { - return thermo.hs(p, T); + return thermo.Cp(p, T); } - // Heat capacity at constant pressure [J/(kmol K)] - scalar cpv - ( - const Thermo& thermo, - const scalar p, - const scalar T - ) const - { - return thermo.cp(p, T); - } - - //- cp/cp [] - scalar cpBycpv + //- Cp/Cp [] + scalar CpByCpv ( const Thermo& thermo, const scalar p, diff --git a/src/thermophysicalModels/specie/thermo/sensibleInternalEnergy/sensibleInternalEnergy.H b/src/thermophysicalModels/specie/thermo/sensibleInternalEnergy/sensibleInternalEnergy.H index b6b5889ff..0922569c7 100644 --- a/src/thermophysicalModels/specie/thermo/sensibleInternalEnergy/sensibleInternalEnergy.H +++ b/src/thermophysicalModels/specie/thermo/sensibleInternalEnergy/sensibleInternalEnergy.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2012 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2012-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -25,8 +25,8 @@ Class Foam::sensibleInternalEnergy Description - Thermodynamics mapping class to expose the sensible internal energy function - as the standard internal energy function e(T). + Thermodynamics mapping class to expose the sensible internal energy + functions. \*---------------------------------------------------------------------------*/ @@ -70,29 +70,19 @@ public: return "e"; } - //- Sensible Internal energy [J/kmol] - scalar he - ( - const Thermo& thermo, - const scalar p, - const scalar T) const - { - return thermo.es(p, T); - } - - //- Heat capacity at constant volume [J/(kmol K)] - scalar cpv + //- Heat capacity at constant volume [J/(kg K)] + scalar Cpv ( const Thermo& thermo, const scalar p, const scalar T ) const { - return thermo.cv(p, T); + return thermo.Cv(p, T); } - //- cp/cv [] - scalar cpBycpv + //- Cp/Cv [] + scalar CpByCpv ( const Thermo& thermo, const scalar p, diff --git a/src/thermophysicalModels/specie/thermo/thermo/thermo.H b/src/thermophysicalModels/specie/thermo/thermo/thermo.H index 9820f1147..cc25cbaad 100644 --- a/src/thermophysicalModels/specie/thermo/thermo/thermo.H +++ b/src/thermophysicalModels/specie/thermo/thermo/thermo.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -59,13 +59,6 @@ inline thermo operator+ const thermo& ); -template class Type> -inline thermo operator- -( - const thermo&, - const thermo& -); - template class Type> inline thermo operator* ( @@ -154,102 +147,94 @@ public: + Type>::typeName(); } + //- Name of Enthalpy/Internal energy + static inline word heName(); + + // Fundamental properties // (These functions must be provided in derived types) - // Heat capacity at constant pressure [J/(kmol K)] - // scalar cp(const scalar) const; + // Heat capacity at constant pressure [J/(kg K)] + // inline scalar Cp(const scalar p, const scalar T) const; - // Absolute Enthalpy [J/kmol] - // scalar ha(const scalar) const; + // Sensible enthalpy [J/kg] + // inline scalar Hs(const scalar p, const scalar T) const; - // Sensible enthalpy [J/kmol] - // scalar hs(const scalar) const; + // Chemical enthalpy [J/kg] + // inline scalar Hc() const; - // Chemical enthalpy [J/kmol] - // scalar hc(const scalar) const; + // Absolute Enthalpy [J/kg] + // inline scalar Ha(const scalar p, const scalar T) const; - // Entropy [J/(kmol K)] - // scalar s(const scalar) const; + // Entropy [J/(kg K)] + // inline scalar S(const scalar p, const scalar T) const; - // Calculate and return derived properties - // (These functions need not provided in derived types) + // Mass specific derived properties - // Mole specific properties + //- Heat capacity at constant volume [J/(kg K)] + inline scalar Cv(const scalar p, const scalar T) const; - //- Name of Enthalpy/Internal energy - static inline word heName(); + //- Heat capacity at constant pressure/volume [J/(kg K)] + inline scalar Cpv(const scalar p, const scalar T) const; - //- Enthalpy/Internal energy [J/kmol] - inline scalar he(const scalar p, const scalar T) const; + //- Gamma = Cp/Cv [] + inline scalar gamma(const scalar p, const scalar T) const; - //- Heat capacity at constant volume [J/(kmol K)] - inline scalar cv(const scalar p, const scalar T) const; + //- Ratio of heat capacity at constant pressure to that at + // constant pressure/volume [] + inline scalar CpByCpv(const scalar p, const scalar T) const; - //- Heat capacity at constant pressure/volume [J/(kmol K)] - inline scalar cpv(const scalar p, const scalar T) const; + //- Enthalpy/Internal energy [J/kg] + inline scalar HE(const scalar p, const scalar T) const; - //- Gamma = cp/cv [] - inline scalar gamma(const scalar p, const scalar T) const; + //- Sensible internal energy [J/kg] + inline scalar Es(const scalar p, const scalar T) const; - //- Ratio of heat capacity at constant pressure to that at - // constant pressure/volume [] - inline scalar cpBycpv(const scalar p, const scalar T) const; + //- Absolute internal energy [J/kg] + inline scalar Ea(const scalar p, const scalar T) const; - //- Sensible internal energy [J/kmol] - inline scalar es(const scalar p, const scalar T) const; + //- Gibbs free energy [J/kg] + inline scalar G(const scalar p, const scalar T) const; - //- Absolute internal energy [J/kmol] - inline scalar ea(const scalar p, const scalar T) const; - - //- Gibbs free energy [J/kmol] - inline scalar g(const scalar p, const scalar T) const; - - //- Helmholtz free energy [J/kmol] - inline scalar a(const scalar p, const scalar T) const; + //- Helmholtz free energy [J/kg] + inline scalar A(const scalar p, const scalar T) const; - // Mass specific properties + // Mole specific derived properties - //- Heat capacity at constant pressure [J/(kg K)] - inline scalar Cp(const scalar p, const scalar T) const; + //- Heat capacity at constant pressure [J/(kmol K)] + inline scalar cp(const scalar p, const scalar T) const; - //- Heat capacity at constant volume [J/(kg K)] - inline scalar Cv(const scalar p, const scalar T) const; + //- Absolute Enthalpy [J/kmol] + inline scalar ha(const scalar p, const scalar T) const; - //- Heat capacity at constant pressure/volume [J/(kg K)] - inline scalar Cpv(const scalar p, const scalar T) const; + //- Sensible enthalpy [J/kmol] + inline scalar hs(const scalar p, const scalar T) const; - //- Enthalpy/Internal energy [J/kg] - inline scalar HE(const scalar p, const scalar T) const; + //- Chemical enthalpy [J/kmol] + inline scalar hc() const; - //- Sensible enthalpy [J/kg] - inline scalar Hs(const scalar p, const scalar T) const; + //- Entropy [J/(kmol K)] + inline scalar s(const scalar p, const scalar T) const; - //- Chemical enthalpy [J/kg] - inline scalar Hc() const; + //- Enthalpy/Internal energy [J/kmol] + inline scalar he(const scalar p, const scalar T) const; - //- Absolute Enthalpy [J/kg] - inline scalar Ha(const scalar p, const scalar T) const; + //- Heat capacity at constant volume [J/(kmol K)] + inline scalar cv(const scalar p, const scalar T) const; - //- Entropy [J/(kg K)] - inline scalar S(const scalar p, const scalar T) const; + //- Sensible internal energy [J/kmol] + inline scalar es(const scalar p, const scalar T) const; - //- Internal energy [J/kg] - inline scalar E(const scalar p, const scalar T) const; + //- Absolute internal energy [J/kmol] + inline scalar ea(const scalar p, const scalar T) const; - //- Sensible internal energy [J/kg] - inline scalar Es(const scalar p, const scalar T) const; + //- Gibbs free energy [J/kmol] + inline scalar g(const scalar p, const scalar T) const; - //- Absolute internal energy [J/kg] - inline scalar Ea(const scalar p, const scalar T) const; - - //- Gibbs free energy [J/kg] - inline scalar G(const scalar p, const scalar T) const; - - //- Helmholtz free energy [J/kg] - inline scalar A(const scalar p, const scalar T) const; + //- Helmholtz free energy [J/kmol] + inline scalar a(const scalar p, const scalar T) const; // Equilibrium reaction thermodynamics @@ -345,8 +330,6 @@ public: // Member operators inline void operator+=(const thermo&); - inline void operator-=(const thermo&); - inline void operator*=(const scalar); @@ -358,12 +341,6 @@ public: const thermo& ); - friend thermo operator- - ( - const thermo&, - const thermo& - ); - friend thermo operator* ( const scalar s, diff --git a/src/thermophysicalModels/specie/thermo/thermo/thermoI.H b/src/thermophysicalModels/specie/thermo/thermo/thermoI.H index 669d7e7a2..cdaa34007 100644 --- a/src/thermophysicalModels/specie/thermo/thermo/thermoI.H +++ b/src/thermophysicalModels/specie/thermo/thermo/thermoI.H @@ -106,78 +106,9 @@ Foam::species::thermo::heName() template class Type> inline Foam::scalar -Foam::species::thermo::he(const scalar p, const scalar T) const +Foam::species::thermo::Cv(const scalar p, const scalar T) const { - return Type>::he(*this, p, T); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::cv(const scalar p, const scalar T) const -{ - return this->cp(p, T) - this->cpMcv(p, T); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::cpv(const scalar p, const scalar T) const -{ - return Type>::cpv(*this, p, T); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::gamma(const scalar p, const scalar T) const -{ - scalar cp = this->cp(p, T); - return cp/(cp - this->cpMcv(p, T)); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::cpBycpv -( - const scalar p, - const scalar T -) const -{ - return Type>::cpBycpv(*this, p, T); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::es(const scalar p, const scalar T) const -{ - return this->hs(p, T) - p*this->W()/this->rho(p, T); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::ea(const scalar p, const scalar T) const -{ - return this->ha(p, T) - p*this->W()/this->rho(p, T); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::g(const scalar p, const scalar T) const -{ - return this->ha(p, T) - T*this->s(p, T); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::a(const scalar p, const scalar T) const -{ - return this->ea(p, T) - T*this->s(p, T); + return this->Cp(p, T) - this->CpMCv(p, T); } @@ -185,23 +116,28 @@ template class Type> inline Foam::scalar Foam::species::thermo::Cpv(const scalar p, const scalar T) const { - return this->cpv(p, T)/this->W(); + return Type>::Cpv(*this, p, T); } template class Type> inline Foam::scalar -Foam::species::thermo::Cp(const scalar p, const scalar T) const +Foam::species::thermo::gamma(const scalar p, const scalar T) const { - return this->cp(p, T)/this->W(); + const scalar Cp = this->Cp(p, T); + return Cp/(Cp - this->CpMCv(p, T)); } template class Type> inline Foam::scalar -Foam::species::thermo::Cv(const scalar p, const scalar T) const +Foam::species::thermo::CpByCpv +( + const scalar p, + const scalar T +) const { - return this->cv(p, T)/this->W(); + return Type>::CpByCpv(*this, p, T); } @@ -213,58 +149,19 @@ Foam::species::thermo::HE(const scalar p, const scalar T) const } -template class Type> -inline Foam::scalar -Foam::species::thermo::Hs(const scalar p, const scalar T) const -{ - return this->hs(p, T)/this->W(); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::Hc() const -{ - return this->hc()/this->W(); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::Ha(const scalar p, const scalar T) const -{ - return this->ha(p, T)/this->W(); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::S(const scalar p, const scalar T) const -{ - return this->s(p, T)/this->W(); -} - - -template class Type> -inline Foam::scalar -Foam::species::thermo::E(const scalar p, const scalar T) const -{ - return this->e(p, T)/this->W(); -} - - template class Type> inline Foam::scalar Foam::species::thermo::Es(const scalar p, const scalar T) const { - return this->es(p, T)/this->W(); + return this->Hs(p, T) - p/this->rho(p, T); } + template class Type> inline Foam::scalar Foam::species::thermo::Ea(const scalar p, const scalar T) const { - return this->ea(p, T)/this->W(); + return this->Ha(p, T) - p/this->rho(p, T); } @@ -272,7 +169,7 @@ template class Type> inline Foam::scalar Foam::species::thermo::G(const scalar p, const scalar T) const { - return this->g(p, T)/this->W(); + return this->Ha(p, T) - T*this->S(p, T); } @@ -280,7 +177,95 @@ template class Type> inline Foam::scalar Foam::species::thermo::A(const scalar p, const scalar T) const { - return this->a(p, T)/this->W(); + return this->Ea(p, T) - T*this->S(p, T); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::cp(const scalar p, const scalar T) const +{ + return this->Cp(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::ha(const scalar p, const scalar T) const +{ + return this->Ha(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::hs(const scalar p, const scalar T) const +{ + return this->Hs(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::hc() const +{ + return this->Hc()*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::s(const scalar p, const scalar T) const +{ + return this->S(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::he(const scalar p, const scalar T) const +{ + return this->HE(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::cv(const scalar p, const scalar T) const +{ + return this->Cv(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::es(const scalar p, const scalar T) const +{ + return this->Es(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::ea(const scalar p, const scalar T) const +{ + return this->Ea(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::g(const scalar p, const scalar T) const +{ + return this->G(p, T)*this->W(); +} + + +template class Type> +inline Foam::scalar +Foam::species::thermo::a(const scalar p, const scalar T) const +{ + return this->A(p, T)*this->W(); } @@ -288,9 +273,9 @@ template class Type> inline Foam::scalar Foam::species::thermo::K(const scalar p, const scalar T) const { - scalar arg = -this->nMoles()*this->g(Pstd, T)/(RR*T); + scalar arg = -this->Y()*this->G(Pstd, T)/(RR*T); - if (arg < 600.0) + if (arg < 600) { return exp(arg); } @@ -313,13 +298,15 @@ template class Type> inline Foam::scalar Foam::species::thermo::Kc(const scalar p, const scalar T) const { - if (equal(this->nMoles(), SMALL)) + const scalar nm = this->Y()/this->W(); + + if (equal(nm, SMALL)) { return Kp(p, T); } else { - return Kp(p, T)*pow(Pstd/(RR*T), this->nMoles()); + return Kp(p, T)*pow(Pstd/(RR*T), nm); } } @@ -331,13 +318,15 @@ inline Foam::scalar Foam::species::thermo::Kx const scalar T ) const { - if (equal(this->nMoles(), SMALL)) + const scalar nm = this->Y()/this->W(); + + if (equal(nm, SMALL)) { return Kp(p, T); } else { - return Kp(p, T)*pow(Pstd/p, this->nMoles()); + return Kp(p, T)*pow(Pstd/p, nm); } } @@ -350,13 +339,15 @@ inline Foam::scalar Foam::species::thermo::Kn const scalar n ) const { - if (equal(this->nMoles(), SMALL)) + const scalar nm = this->Y()/this->W(); + + if (equal(nm, SMALL)) { return Kp(p, T); } else { - return Kp(p, T)*pow(n*Pstd/p, this->nMoles()); + return Kp(p, T)*pow(n*Pstd/p, nm); } } @@ -465,16 +456,6 @@ inline void Foam::species::thermo::operator+= } -template class Type> -inline void Foam::species::thermo::operator-= -( - const thermo& st -) -{ - Thermo::operator-=(st); -} - - template class Type> inline void Foam::species::thermo::operator*=(const scalar s) { @@ -498,20 +479,6 @@ inline Foam::species::thermo Foam::species::operator+ } -template class Type> -inline Foam::species::thermo Foam::species::operator- -( - const thermo& st1, - const thermo& st2 -) -{ - return thermo - ( - static_cast(st1) - static_cast(st2) - ); -} - - template class Type> inline Foam::species::thermo Foam::species::operator* ( @@ -533,7 +500,10 @@ inline Foam::species::thermo Foam::species::operator== const thermo& st2 ) { - return st2 - st1; + return thermo + ( + static_cast(st1) == static_cast(st2) + ); } diff --git a/src/thermophysicalModels/specie/transport/const/constTransport.H b/src/thermophysicalModels/specie/transport/const/constTransport.H index 2c2e691bf..2c4be8d4d 100644 --- a/src/thermophysicalModels/specie/transport/const/constTransport.H +++ b/src/thermophysicalModels/specie/transport/const/constTransport.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -54,13 +54,6 @@ inline constTransport operator+ const constTransport& ); -template -inline constTransport operator- -( - const constTransport&, - const constTransport& -); - template inline constTransport operator* ( @@ -68,13 +61,6 @@ inline constTransport operator* const constTransport& ); -template -inline constTransport operator== -( - const constTransport&, - const constTransport& -); - template Ostream& operator<< ( @@ -165,8 +151,6 @@ public: inline void operator+=(const constTransport&); - inline void operator-=(const constTransport&); - inline void operator*=(const scalar); @@ -178,24 +162,12 @@ public: const constTransport& ); - friend constTransport operator- - ( - const constTransport&, - const constTransport& - ); - friend constTransport operator* ( const scalar, const constTransport& ); - friend constTransport operator== - ( - const constTransport&, - const constTransport& - ); - // Ostream Operator diff --git a/src/thermophysicalModels/specie/transport/const/constTransportI.H b/src/thermophysicalModels/specie/transport/const/constTransportI.H index 6c304476f..71a210217 100644 --- a/src/thermophysicalModels/specie/transport/const/constTransportI.H +++ b/src/thermophysicalModels/specie/transport/const/constTransportI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -147,38 +147,17 @@ inline void Foam::constTransport::operator+= const constTransport& st ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); Thermo::operator+=(st); - if (mag(molr1) + mag(st.nMoles()) > SMALL) + if (mag(this->Y()) > SMALL) { - molr1 /= this->nMoles(); - scalar molr2 = st.nMoles()/this->nMoles(); + Y1 /= this->Y(); + scalar Y2 = st.Y()/this->Y(); - mu_ = molr1*mu_ + molr2*st.mu_; - rPr_ = 1.0/(molr1/rPr_ + molr2/st.rPr_); - } -} - - -template -inline void Foam::constTransport::operator-= -( - const constTransport& st -) -{ - scalar molr1 = this->nMoles(); - - Thermo::operator-=(st); - - if (mag(molr1) + mag(st.nMoles()) > SMALL) - { - molr1 /= this->nMoles(); - scalar molr2 = st.nMoles()/this->nMoles(); - - mu_ = molr1*mu_ - molr2*st.mu_; - rPr_ = 1.0/(molr1/rPr_ - molr2/st.rPr_); + mu_ = Y1*mu_ + Y2*st.mu_; + rPr_ = 1.0/(Y1/rPr_ + Y2/st.rPr_); } } @@ -207,7 +186,7 @@ inline Foam::constTransport Foam::operator+ static_cast(ct1) + static_cast(ct2) ); - if (mag(ct1.nMoles()) + mag(ct2.nMoles()) < SMALL) + if (mag(t.Y()) < SMALL) { return constTransport ( @@ -218,50 +197,14 @@ inline Foam::constTransport Foam::operator+ } else { - scalar molr1 = ct1.nMoles()/t.nMoles(); - scalar molr2 = ct2.nMoles()/t.nMoles(); + scalar Y1 = ct1.Y()/t.Y(); + scalar Y2 = ct2.Y()/t.Y(); return constTransport ( t, - molr1*ct1.mu_ + molr2*ct2.mu_, - 1.0/(molr1/ct1.rPr_ + molr2/ct2.rPr_) - ); - } -} - - -template -inline Foam::constTransport Foam::operator- -( - const constTransport& ct1, - const constTransport& ct2 -) -{ - Thermo t - ( - static_cast(ct1) - static_cast(ct2) - ); - - if (mag(ct1.nMoles()) + mag(ct2.nMoles()) < SMALL) - { - return constTransport - ( - t, - 0, - ct1.rPr_ - ); - } - else - { - scalar molr1 = ct1.nMoles()/t.nMoles(); - scalar molr2 = ct2.nMoles()/t.nMoles(); - - return constTransport - ( - t, - molr1*ct1.mu_ - molr2*ct2.mu_, - 1.0/(molr1/ct1.rPr_ - molr2/ct2.rPr_) + Y1*ct1.mu_ + Y2*ct2.mu_, + 1.0/(Y1/ct1.rPr_ + Y2/ct2.rPr_) ); } } @@ -283,15 +226,4 @@ inline Foam::constTransport Foam::operator* } -template -inline Foam::constTransport Foam::operator== -( - const constTransport& ct1, - const constTransport& ct2 -) -{ - return ct2 - ct1; -} - - // ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransport.C b/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransport.C index b1fd1f821..0d53683fc 100644 --- a/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransport.C +++ b/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransport.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -37,10 +37,7 @@ Foam::logPolynomialTransport::logPolynomialTransport Thermo(is), muCoeffs_("muLogCoeffs<" + Foam::name(PolySize) + '>', is), kappaCoeffs_("kappaLogCoeffs<" + Foam::name(PolySize) + '>', is) -{ - muCoeffs_ *= this->W(); - kappaCoeffs_ *= this->W(); -} +{} template @@ -64,10 +61,7 @@ Foam::logPolynomialTransport::logPolynomialTransport "kappaLogCoeffs<" + Foam::name(PolySize) + '>' ) ) -{ - muCoeffs_ *= this->W(); - kappaCoeffs_ *= this->W(); -} +{} // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // @@ -84,12 +78,12 @@ void Foam::logPolynomialTransport::write(Ostream& os) const dict.add ( word("muLogCoeffs<" + Foam::name(PolySize) + '>'), - muCoeffs_/this->W() + muCoeffs_ ); dict.add ( word("kappaLogCoeffs<" + Foam::name(PolySize) + '>'), - kappaCoeffs_/this->W() + kappaCoeffs_ ); os << indent << dict.dictName() << dict; @@ -108,9 +102,9 @@ Foam::Ostream& Foam::operator<< { os << static_cast(pt) << tab << "muLogCoeffs<" << Foam::name(PolySize) << '>' << tab - << pt.muCoeffs_/pt.W() << tab + << pt.muCoeffs_ << tab << "kappaLogCoeffs<" << Foam::name(PolySize) << '>' << tab - << pt.kappaCoeffs_/pt.W(); + << pt.kappaCoeffs_; os.check ( diff --git a/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransport.H b/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransport.H index 65f7ba661..01b4fc9f3 100644 --- a/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransport.H +++ b/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransport.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -99,13 +99,6 @@ inline logPolynomialTransport operator+ const logPolynomialTransport& ); -template -inline logPolynomialTransport operator- -( - const logPolynomialTransport&, - const logPolynomialTransport& -); - template inline logPolynomialTransport operator* ( @@ -113,13 +106,6 @@ inline logPolynomialTransport operator* const logPolynomialTransport& ); -template -inline logPolynomialTransport operator== -( - const logPolynomialTransport&, - const logPolynomialTransport& -); - template Ostream& operator<< ( @@ -219,8 +205,9 @@ public: // Member operators inline void operator=(const logPolynomialTransport&); + inline void operator+=(const logPolynomialTransport&); - inline void operator-=(const logPolynomialTransport&); + inline void operator*=(const scalar); @@ -232,24 +219,12 @@ public: const logPolynomialTransport& ); - friend logPolynomialTransport operator- - ( - const logPolynomialTransport&, - const logPolynomialTransport& - ); - friend logPolynomialTransport operator* ( const scalar, const logPolynomialTransport& ); - friend logPolynomialTransport operator== - ( - const logPolynomialTransport&, - const logPolynomialTransport& - ); - // Ostream Operator diff --git a/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransportI.H b/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransportI.H index 4fb373c89..514d243de 100644 --- a/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransportI.H +++ b/src/thermophysicalModels/specie/transport/logPolynomial/logPolynomialTransportI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -108,7 +108,7 @@ inline Foam::scalar Foam::logPolynomialTransport::mu const scalar T ) const { - return exp(muCoeffs_.value(log(T))/this->W()); + return exp(muCoeffs_.value(log(T))); } @@ -119,7 +119,7 @@ inline Foam::scalar Foam::logPolynomialTransport::kappa const scalar T ) const { - return exp(kappaCoeffs_.value(log(T))/this->W()); + return exp(kappaCoeffs_.value(log(T))); } @@ -154,33 +154,18 @@ inline void Foam::logPolynomialTransport::operator+= const logPolynomialTransport& pt ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); Thermo::operator+=(pt); - molr1 /= this->nMoles(); - scalar molr2 = pt.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + scalar Y2 = pt.Y()/this->Y(); - muCoeffs_ = molr1*muCoeffs_ + molr2*pt.muCoeffs_; - kappaCoeffs_ = molr1*kappaCoeffs_ + molr2*pt.kappaCoeffs_; -} - - -template -inline void Foam::logPolynomialTransport::operator-= -( - const logPolynomialTransport& pt -) -{ - scalar molr1 = this->nMoles(); - - Thermo::operator-=(pt); - - molr1 /= this->nMoles(); - scalar molr2 = pt.nMoles()/this->nMoles(); - - muCoeffs_ = molr1*muCoeffs_ - molr2*pt.muCoeffs_; - kappaCoeffs_ = molr1*kappaCoeffs_ - molr2*pt.kappaCoeffs_; + muCoeffs_ = Y1*muCoeffs_ + Y2*pt.muCoeffs_; + kappaCoeffs_ = Y1*kappaCoeffs_ + Y2*pt.kappaCoeffs_; + } } @@ -208,39 +193,28 @@ inline Foam::logPolynomialTransport Foam::operator+ static_cast(pt1) + static_cast(pt2) ); - scalar molr1 = pt1.nMoles()/t.nMoles(); - scalar molr2 = pt2.nMoles()/t.nMoles(); + if (mag(t.Y()) < SMALL) + { + return logPolynomialTransport + ( + t, + 0, + pt1.muCoeffs_, + pt1.kappaCoeffs_ + ); + } + else + { + scalar Y1 = pt1.Y()/t.Y(); + scalar Y2 = pt2.Y()/t.Y(); - return logPolynomialTransport - ( - t, - molr1*pt1.muCoeffs_ + molr2*pt2.muCoeffs_, - molr1*pt1.kappaCoeffs_ + molr2*pt2.kappaCoeffs_ - ); -} - - -template -inline Foam::logPolynomialTransport Foam::operator- -( - const logPolynomialTransport& pt1, - const logPolynomialTransport& pt2 -) -{ - Thermo t - ( - static_cast(pt1) - static_cast(pt2) - ); - - scalar molr1 = pt1.nMoles()/t.nMoles(); - scalar molr2 = pt2.nMoles()/t.nMoles(); - - return logPolynomialTransport - ( - t, - molr1*pt1.muCoeffs_ - molr2*pt2.muCoeffs_, - molr1*pt1.kappaCoeffs_ - molr2*pt2.kappaCoeffs_ - ); + return logPolynomialTransport + ( + t, + Y1*pt1.muCoeffs_ + Y2*pt2.muCoeffs_, + Y1*pt1.kappaCoeffs_ + Y2*pt2.kappaCoeffs_ + ); + } } @@ -260,15 +234,4 @@ inline Foam::logPolynomialTransport Foam::operator* } -template -inline Foam::logPolynomialTransport Foam::operator== -( - const logPolynomialTransport& pt1, - const logPolynomialTransport& pt2 -) -{ - return pt2 - pt1; -} - - // ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/polynomial/polynomialTransport.C b/src/thermophysicalModels/specie/transport/polynomial/polynomialTransport.C index 32640927d..adcc8485d 100644 --- a/src/thermophysicalModels/specie/transport/polynomial/polynomialTransport.C +++ b/src/thermophysicalModels/specie/transport/polynomial/polynomialTransport.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -34,10 +34,7 @@ Foam::polynomialTransport::polynomialTransport(Istream& is) Thermo(is), muCoeffs_("muCoeffs<" + Foam::name(PolySize) + '>', is), kappaCoeffs_("kappaCoeffs<" + Foam::name(PolySize) + '>', is) -{ - muCoeffs_ *= this->W(); - kappaCoeffs_ *= this->W(); -} +{} template @@ -61,10 +58,7 @@ Foam::polynomialTransport::polynomialTransport "kappaCoeffs<" + Foam::name(PolySize) + '>' ) ) -{ - muCoeffs_ *= this->W(); - kappaCoeffs_ *= this->W(); -} +{} // * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * // @@ -81,12 +75,12 @@ void Foam::polynomialTransport::write(Ostream& os) const dict.add ( word("muCoeffs<" + Foam::name(PolySize) + '>'), - muCoeffs_/this->W() + muCoeffs_ ); dict.add ( word("kappaCoeffs<" + Foam::name(PolySize) + '>'), - kappaCoeffs_/this->W() + kappaCoeffs_ ); os << indent << dict.dictName() << dict; @@ -105,9 +99,9 @@ Foam::Ostream& Foam::operator<< { os << static_cast(pt) << tab << "muCoeffs<" << Foam::name(PolySize) << '>' << tab - << pt.muCoeffs_/pt.W() << tab + << pt.muCoeffs_ << tab << "kappaCoeffs<" << Foam::name(PolySize) << '>' << tab - << pt.kappaCoeffs_/pt.W(); + << pt.kappaCoeffs_; os.check ( diff --git a/src/thermophysicalModels/specie/transport/polynomial/polynomialTransport.H b/src/thermophysicalModels/specie/transport/polynomial/polynomialTransport.H index 8f7e39b1f..8b7c95ced 100644 --- a/src/thermophysicalModels/specie/transport/polynomial/polynomialTransport.H +++ b/src/thermophysicalModels/specie/transport/polynomial/polynomialTransport.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -90,13 +90,6 @@ inline polynomialTransport operator+ const polynomialTransport& ); -template -inline polynomialTransport operator- -( - const polynomialTransport&, - const polynomialTransport& -); - template inline polynomialTransport operator* ( @@ -104,13 +97,6 @@ inline polynomialTransport operator* const polynomialTransport& ); -template -inline polynomialTransport operator== -( - const polynomialTransport&, - const polynomialTransport& -); - template Ostream& operator<< ( @@ -201,8 +187,9 @@ public: // Member operators inline void operator=(const polynomialTransport&); + inline void operator+=(const polynomialTransport&); - inline void operator-=(const polynomialTransport&); + inline void operator*=(const scalar); @@ -214,24 +201,12 @@ public: const polynomialTransport& ); - friend polynomialTransport operator- - ( - const polynomialTransport&, - const polynomialTransport& - ); - friend polynomialTransport operator* ( const scalar, const polynomialTransport& ); - friend polynomialTransport operator== - ( - const polynomialTransport&, - const polynomialTransport& - ); - // Ostream Operator diff --git a/src/thermophysicalModels/specie/transport/polynomial/polynomialTransportI.H b/src/thermophysicalModels/specie/transport/polynomial/polynomialTransportI.H index ca82f18d8..501c9f063 100644 --- a/src/thermophysicalModels/specie/transport/polynomial/polynomialTransportI.H +++ b/src/thermophysicalModels/specie/transport/polynomial/polynomialTransportI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -108,7 +108,7 @@ inline Foam::scalar Foam::polynomialTransport::mu const scalar T ) const { - return muCoeffs_.value(T)/this->W(); + return muCoeffs_.value(T); } @@ -119,7 +119,7 @@ inline Foam::scalar Foam::polynomialTransport::kappa const scalar T ) const { - return kappaCoeffs_.value(T)/this->W(); + return kappaCoeffs_.value(T); } @@ -154,33 +154,18 @@ inline void Foam::polynomialTransport::operator+= const polynomialTransport& pt ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); Thermo::operator+=(pt); - molr1 /= this->nMoles(); - scalar molr2 = pt.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + scalar Y2 = pt.Y()/this->Y(); - muCoeffs_ = molr1*muCoeffs_ + molr2*pt.muCoeffs_; - kappaCoeffs_ = molr1*kappaCoeffs_ + molr2*pt.kappaCoeffs_; -} - - -template -inline void Foam::polynomialTransport::operator-= -( - const polynomialTransport& pt -) -{ - scalar molr1 = this->nMoles(); - - Thermo::operator-=(pt); - - molr1 /= this->nMoles(); - scalar molr2 = pt.nMoles()/this->nMoles(); - - muCoeffs_ = molr1*muCoeffs_ - molr2*pt.muCoeffs_; - kappaCoeffs_ = molr1*kappaCoeffs_ - molr2*pt.kappaCoeffs_; + muCoeffs_ = Y1*muCoeffs_ + Y2*pt.muCoeffs_; + kappaCoeffs_ = Y1*kappaCoeffs_ + Y2*pt.kappaCoeffs_; + } } @@ -208,39 +193,28 @@ inline Foam::polynomialTransport Foam::operator+ static_cast(pt1) + static_cast(pt2) ); - scalar molr1 = pt1.nMoles()/t.nMoles(); - scalar molr2 = pt2.nMoles()/t.nMoles(); + if (mag(t.Y()) < SMALL) + { + return polynomialTransport + ( + t, + 0, + pt1.muCoeffs_, + pt1.kappaCoeffs_ + ); + } + else + { + scalar Y1 = pt1.Y()/t.Y(); + scalar Y2 = pt2.Y()/t.Y(); - return polynomialTransport - ( - t, - molr1*pt1.muCoeffs_ + molr2*pt2.muCoeffs_, - molr1*pt1.kappaCoeffs_ + molr2*pt2.kappaCoeffs_ - ); -} - - -template -inline Foam::polynomialTransport Foam::operator- -( - const polynomialTransport& pt1, - const polynomialTransport& pt2 -) -{ - Thermo t - ( - static_cast(pt1) - static_cast(pt2) - ); - - scalar molr1 = pt1.nMoles()/t.nMoles(); - scalar molr2 = pt2.nMoles()/t.nMoles(); - - return polynomialTransport - ( - t, - molr1*pt1.muCoeffs_ - molr2*pt2.muCoeffs_, - molr1*pt1.kappaCoeffs_ - molr2*pt2.kappaCoeffs_ - ); + return polynomialTransport + ( + t, + Y1*pt1.muCoeffs_ + Y2*pt2.muCoeffs_, + Y1*pt1.kappaCoeffs_ + Y2*pt2.kappaCoeffs_ + ); + } } @@ -260,15 +234,4 @@ inline Foam::polynomialTransport Foam::operator* } -template -inline Foam::polynomialTransport Foam::operator== -( - const polynomialTransport& pt1, - const polynomialTransport& pt2 -) -{ - return pt2 - pt1; -} - - // ************************************************************************* // diff --git a/src/thermophysicalModels/specie/transport/sutherland/sutherlandTransport.H b/src/thermophysicalModels/specie/transport/sutherland/sutherlandTransport.H index 3c926eb00..1acc05bcc 100644 --- a/src/thermophysicalModels/specie/transport/sutherland/sutherlandTransport.H +++ b/src/thermophysicalModels/specie/transport/sutherland/sutherlandTransport.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -60,13 +60,6 @@ inline sutherlandTransport operator+ const sutherlandTransport& ); -template -inline sutherlandTransport operator- -( - const sutherlandTransport&, - const sutherlandTransport& -); - template inline sutherlandTransport operator* ( @@ -74,13 +67,6 @@ inline sutherlandTransport operator* const sutherlandTransport& ); -template -inline sutherlandTransport operator== -( - const sutherlandTransport&, - const sutherlandTransport& -); - template Ostream& operator<< ( @@ -190,8 +176,6 @@ public: inline void operator+=(const sutherlandTransport&); - inline void operator-=(const sutherlandTransport&); - inline void operator*=(const scalar); @@ -203,24 +187,12 @@ public: const sutherlandTransport& ); - friend sutherlandTransport operator- - ( - const sutherlandTransport&, - const sutherlandTransport& - ); - friend sutherlandTransport operator* ( const scalar, const sutherlandTransport& ); - friend sutherlandTransport operator== - ( - const sutherlandTransport&, - const sutherlandTransport& - ); - // Ostream Operator diff --git a/src/thermophysicalModels/specie/transport/sutherland/sutherlandTransportI.H b/src/thermophysicalModels/specie/transport/sutherland/sutherlandTransportI.H index 60ce87da8..71b444907 100644 --- a/src/thermophysicalModels/specie/transport/sutherland/sutherlandTransportI.H +++ b/src/thermophysicalModels/specie/transport/sutherland/sutherlandTransportI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2011-2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -183,33 +183,18 @@ inline void Foam::sutherlandTransport::operator+= const sutherlandTransport& st ) { - scalar molr1 = this->nMoles(); + scalar Y1 = this->Y(); Thermo::operator+=(st); - molr1 /= this->nMoles(); - scalar molr2 = st.nMoles()/this->nMoles(); + if (mag(this->Y()) > SMALL) + { + Y1 /= this->Y(); + scalar Y2 = st.Y()/this->Y(); - As_ = molr1*As_ + molr2*st.As_; - Ts_ = molr1*Ts_ + molr2*st.Ts_; -} - - -template -inline void Foam::sutherlandTransport::operator-= -( - const sutherlandTransport& st -) -{ - scalar molr1 = this->nMoles(); - - Thermo::operator-=(st); - - molr1 /= this->nMoles(); - scalar molr2 = st.nMoles()/this->nMoles(); - - As_ = molr1*As_ - molr2*st.As_; - Ts_ = molr1*Ts_ - molr2*st.Ts_; + As_ = Y1*As_ + Y2*st.As_; + Ts_ = Y1*Ts_ + Y2*st.Ts_; + } } @@ -237,39 +222,28 @@ inline Foam::sutherlandTransport Foam::operator+ static_cast(st1) + static_cast(st2) ); - scalar molr1 = st1.nMoles()/t.nMoles(); - scalar molr2 = st2.nMoles()/t.nMoles(); + if (mag(t.Y()) < SMALL) + { + return sutherlandTransport + ( + t, + 0, + st1.As_, + st1.Ts_ + ); + } + else + { + scalar Y1 = st1.Y()/t.Y(); + scalar Y2 = st2.Y()/t.Y(); - return sutherlandTransport - ( - t, - molr1*st1.As_ + molr2*st2.As_, - molr1*st1.Ts_ + molr2*st2.Ts_ - ); -} - - -template -inline Foam::sutherlandTransport Foam::operator- -( - const sutherlandTransport& st1, - const sutherlandTransport& st2 -) -{ - Thermo t - ( - static_cast(st1) - static_cast(st2) - ); - - scalar molr1 = st1.nMoles()/t.nMoles(); - scalar molr2 = st2.nMoles()/t.nMoles(); - - return sutherlandTransport - ( - t, - molr1*st1.As_ - molr2*st2.As_, - molr1*st1.Ts_ - molr2*st2.Ts_ - ); + return sutherlandTransport + ( + t, + Y1*st1.As_ + Y2*st2.As_, + Y1*st1.Ts_ + Y2*st2.Ts_ + ); + } } @@ -289,15 +263,4 @@ inline Foam::sutherlandTransport Foam::operator* } -template -inline Foam::sutherlandTransport Foam::operator== -( - const sutherlandTransport& st1, - const sutherlandTransport& st2 -) -{ - return st2 - st1; -} - - // ************************************************************************* // diff --git a/tutorials/combustion/PDRFoam/flamePropagationWithObstacles/constant/thermophysicalProperties b/tutorials/combustion/PDRFoam/flamePropagationWithObstacles/constant/thermophysicalProperties index f2bfd9fb9..93db588c6 100644 --- a/tutorials/combustion/PDRFoam/flamePropagationWithObstacles/constant/thermophysicalProperties +++ b/tutorials/combustion/PDRFoam/flamePropagationWithObstacles/constant/thermophysicalProperties @@ -32,7 +32,6 @@ fuel { specie { - nMoles 1; molWeight 44.0962; } thermodynamics @@ -55,7 +54,6 @@ oxidant { specie { - nMoles 1; molWeight 28.8504; } thermodynamics @@ -77,7 +75,6 @@ burntProducts { specie { - nMoles 1; molWeight 28.3233; } thermodynamics diff --git a/tutorials/combustion/XiFoam/RAS/moriyoshiHomogeneous/constant/thermophysicalProperties b/tutorials/combustion/XiFoam/RAS/moriyoshiHomogeneous/constant/thermophysicalProperties index e6e3ab3a2..8489c7fa7 100644 --- a/tutorials/combustion/XiFoam/RAS/moriyoshiHomogeneous/constant/thermophysicalProperties +++ b/tutorials/combustion/XiFoam/RAS/moriyoshiHomogeneous/constant/thermophysicalProperties @@ -19,32 +19,43 @@ thermoType { type heheuPsiThermo; mixture homogeneousMixture; - transport sutherland; + transport const; thermo janaf; equationOfState perfectGas; specie specie; energy absoluteEnthalpy; } -stoichiometricAirFuelMassRatio stoichiometricAirFuelMassRatio [0 0 0 0 0 0 0] 15.675; +stoichiometricAirFuelMassRatio + stoichiometricAirFuelMassRatio [0 0 0 0 0 0 0] 15.675; reactants { specie { - nMoles 24.8095; molWeight 29.4649; } thermodynamics { Tlow 200; - Thigh 5000; + Thigh 6000; Tcommon 1000; - highCpCoeffs ( 3.28069 0.00195035 -6.53483e-07 1.00239e-10 -5.64653e-15 -1609.55 4.41496 ); - lowCpCoeffs ( 3.47696 0.000367499 1.84866e-06 -9.8993e-10 -3.10214e-14 -1570.81 3.76075 ); + highCpCoeffs + ( + 3.24515 0.00202212 -6.98806e-07 1.11477e-10 + -6.60444e-15 -1601.58 4.60831 + ); + lowCpCoeffs + ( + 3.60909 -0.000628822 4.45105e-06 -3.81328e-09 + 1.0553e-12 -1587.86 3.21309 + ); } transport { + mu 1e-5; + Pr 1; + As 1.67212e-06; Ts 170.672; } @@ -54,19 +65,29 @@ products { specie { - nMoles 1; molWeight 28.3233; } thermodynamics { Tlow 200; - Thigh 5000; + Thigh 6000; Tcommon 1000; - highCpCoeffs ( 3.106 0.00179682 -5.94382e-07 9.04998e-11 -5.08033e-15 -11003.7 5.11872 ); - lowCpCoeffs ( 3.49612 0.000650364 -2.08029e-07 1.2291e-09 -7.73697e-13 -11080.3 3.18978 ); + highCpCoeffs + ( + 3.10561 0.00179748 -5.94701e-07 9.05612e-11 + -5.08447e-15 -11003.6 5.12109 + ); + lowCpCoeffs + ( + 3.498 0.000638554 -1.83885e-07 1.20991e-09 + -7.68702e-13 -11080.6 3.1819 + ); } transport { + mu 1e-5; + Pr 1; + As 1.67212e-06; Ts 170.672; } diff --git a/tutorials/combustion/XiFoam/RAS/moriyoshiHomogeneous/constant/thermophysicalProperties.hydrogen b/tutorials/combustion/XiFoam/RAS/moriyoshiHomogeneous/constant/thermophysicalProperties.hydrogen index 397d6345d..e4b355595 100644 --- a/tutorials/combustion/XiFoam/RAS/moriyoshiHomogeneous/constant/thermophysicalProperties.hydrogen +++ b/tutorials/combustion/XiFoam/RAS/moriyoshiHomogeneous/constant/thermophysicalProperties.hydrogen @@ -32,7 +32,6 @@ reactants { specie { - nMoles 24.8095; molWeight 16.0243; } thermodynamics @@ -54,7 +53,6 @@ products { specie { - nMoles 1; molWeight 17.9973; } thermodynamics diff --git a/tutorials/combustion/engineFoam/kivaTest/constant/thermophysicalProperties b/tutorials/combustion/engineFoam/kivaTest/constant/thermophysicalProperties index 863152a97..b64b041ab 100644 --- a/tutorials/combustion/engineFoam/kivaTest/constant/thermophysicalProperties +++ b/tutorials/combustion/engineFoam/kivaTest/constant/thermophysicalProperties @@ -33,7 +33,6 @@ fuel { specie { - nMoles 1; molWeight 114.23; } thermodynamics @@ -55,7 +54,6 @@ oxidant { specie { - nMoles 1; molWeight 28.8504; } thermodynamics @@ -77,7 +75,6 @@ burntProducts { specie { - nMoles 1; molWeight 28.6068; } thermodynamics diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid index a4b2c4813..ecb4a042a 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermo.solid @@ -19,7 +19,6 @@ wood { specie { - nMoles 1; molWeight 100; } transport @@ -41,7 +40,6 @@ char { specie { - nMoles 1; molWeight 50; } transport diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties index 4765d84e0..e1db45d87 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/pyrolysisRegion/thermophysicalProperties @@ -46,7 +46,6 @@ gas { specie { - nMoles 1; molWeight 18.0153; } thermodynamics diff --git a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas index d2d8f2cd2..3a25b01d2 100644 --- a/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas +++ b/tutorials/combustion/fireFoam/LES/flameSpreadWaterSuppressionPanel/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -85,7 +82,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics @@ -107,7 +103,6 @@ C3H8 { specie { - nMoles 1; molWeight 44.0962; } thermodynamics diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid index a4b2c4813..ecb4a042a 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermo.solid @@ -19,7 +19,6 @@ wood { specie { - nMoles 1; molWeight 100; } transport @@ -41,7 +40,6 @@ char { specie { - nMoles 1; molWeight 50; } transport diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties index a4d89de8c..df2e38a59 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/panelRegion/thermophysicalProperties @@ -46,7 +46,6 @@ gas { specie { - nMoles 1; molWeight 18.0153; } thermodynamics diff --git a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermo.compressibleGas b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermo.compressibleGas index 7544819fc..57b05bac7 100644 --- a/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermo.compressibleGas +++ b/tutorials/combustion/fireFoam/LES/oppositeBurningPanels/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ C3H8 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -85,7 +82,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -107,7 +103,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermo.compressibleGas b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermo.compressibleGas index db1994252..6506999a7 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermo.compressibleGas +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire2D/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ CH4 { specie { - nMoles 1; molWeight 16.0428; } thermodynamics @@ -85,7 +82,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -107,7 +103,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas index db1994252..6506999a7 100644 --- a/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas +++ b/tutorials/combustion/fireFoam/LES/smallPoolFire3D/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ CH4 { specie { - nMoles 1; molWeight 16.0428; } thermodynamics @@ -85,7 +82,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -107,7 +103,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas index ff00e560b..1bacad52c 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ CH4 { specie { - nMoles 1; molWeight 16.0428; } thermodynamics @@ -85,7 +82,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -107,7 +103,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas index ff00e560b..1bacad52c 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ CH4 { specie { - nMoles 1; molWeight 16.0428; } thermodynamics @@ -85,7 +82,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -107,7 +103,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGas index 33208fc6c..8e3adfc37 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGas +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } elements @@ -45,7 +44,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } elements @@ -72,7 +70,6 @@ CH4 { specie { - nMoles 1; molWeight 16.0428; } elements @@ -99,7 +96,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } elements @@ -126,7 +122,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } elements diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI index 00d5cd86d..f709692e9 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI @@ -2,7 +2,6 @@ OH { specie { - nMoles 1; molWeight 17.0074; } thermodynamics @@ -28,7 +27,6 @@ CN { specie { - nMoles 1; molWeight 26.0179; } thermodynamics @@ -54,7 +52,6 @@ C2H3 { specie { - nMoles 1; molWeight 27.0462; } thermodynamics @@ -80,7 +77,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics @@ -105,7 +101,6 @@ HOCN { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -133,7 +128,6 @@ N { specie { - nMoles 1; molWeight 14.0067; } thermodynamics @@ -158,7 +152,6 @@ C2H { specie { - nMoles 1; molWeight 25.0303; } thermodynamics @@ -184,7 +177,6 @@ HNO { specie { - nMoles 1; molWeight 31.0141; } thermodynamics @@ -211,7 +203,6 @@ CH2CO { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -238,7 +229,6 @@ CH3 { specie { - nMoles 1; molWeight 15.0351; } thermodynamics @@ -264,7 +254,6 @@ C2H5 { specie { - nMoles 1; molWeight 29.0622; } thermodynamics @@ -290,7 +279,6 @@ C2H4 { specie { - nMoles 1; molWeight 28.0542; } thermodynamics @@ -316,7 +304,6 @@ C3H8 { specie { - nMoles 1; molWeight 44.0972; } thermodynamics @@ -342,7 +329,6 @@ HCN { specie { - nMoles 1; molWeight 27.0258; } thermodynamics @@ -369,7 +355,6 @@ C2H6 { specie { - nMoles 1; molWeight 30.0701; } thermodynamics @@ -395,7 +380,6 @@ NH3 { specie { - nMoles 1; molWeight 17.0306; } thermodynamics @@ -421,7 +405,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -447,7 +430,6 @@ C2H2 { specie { - nMoles 1; molWeight 26.0382; } thermodynamics @@ -473,7 +455,6 @@ CH2OH { specie { - nMoles 1; molWeight 31.0345; } thermodynamics @@ -500,7 +481,6 @@ H2CN { specie { - nMoles 1; molWeight 28.0338; } thermodynamics @@ -527,7 +507,6 @@ HCCOH { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -554,7 +533,6 @@ H2O2 { specie { - nMoles 1; molWeight 34.0147; } thermodynamics @@ -580,7 +558,6 @@ HCO { specie { - nMoles 1; molWeight 29.0185; } thermodynamics @@ -607,7 +584,6 @@ NNH { specie { - nMoles 1; molWeight 29.0214; } thermodynamics @@ -633,7 +609,6 @@ N2O { specie { - nMoles 1; molWeight 44.0128; } thermodynamics @@ -659,7 +634,6 @@ CH2(S) { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -685,7 +659,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -710,7 +683,6 @@ CH2CHO { specie { - nMoles 1; molWeight 43.0456; } thermodynamics @@ -737,7 +709,6 @@ HNCO { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -765,7 +736,6 @@ HCCO { specie { - nMoles 1; molWeight 41.0297; } thermodynamics @@ -792,7 +762,6 @@ H2 { specie { - nMoles 1; molWeight 2.01594; } thermodynamics @@ -817,7 +786,6 @@ NO2 { specie { - nMoles 1; molWeight 46.0055; } thermodynamics @@ -843,7 +811,6 @@ CH4 { specie { - nMoles 1; molWeight 16.043; } thermodynamics @@ -869,7 +836,6 @@ C { specie { - nMoles 1; molWeight 12.0112; } thermodynamics @@ -894,7 +860,6 @@ HO2 { specie { - nMoles 1; molWeight 33.0068; } thermodynamics @@ -920,7 +885,6 @@ CH3CHO { specie { - nMoles 1; molWeight 44.0536; } thermodynamics @@ -947,7 +911,6 @@ C3H7 { specie { - nMoles 1; molWeight 43.0892; } thermodynamics @@ -973,7 +936,6 @@ CH3OH { specie { - nMoles 1; molWeight 32.0424; } thermodynamics @@ -1000,7 +962,6 @@ CH2O { specie { - nMoles 1; molWeight 30.0265; } thermodynamics @@ -1027,7 +988,6 @@ CO { specie { - nMoles 1; molWeight 28.0106; } thermodynamics @@ -1053,7 +1013,6 @@ CH3O { specie { - nMoles 1; molWeight 31.0345; } thermodynamics @@ -1080,7 +1039,6 @@ O { specie { - nMoles 1; molWeight 15.9994; } thermodynamics @@ -1105,7 +1063,6 @@ HCNN { specie { - nMoles 1; molWeight 41.0325; } thermodynamics @@ -1132,7 +1089,6 @@ NCO { specie { - nMoles 1; molWeight 42.0173; } thermodynamics @@ -1159,7 +1115,6 @@ CH2 { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -1185,7 +1140,6 @@ HCNO { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -1213,7 +1167,6 @@ NH2 { specie { - nMoles 1; molWeight 16.0226; } thermodynamics @@ -1239,7 +1192,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -1265,7 +1217,6 @@ NH { specie { - nMoles 1; molWeight 15.0147; } thermodynamics @@ -1291,7 +1242,6 @@ H { specie { - nMoles 1; molWeight 1.00797; } thermodynamics @@ -1316,7 +1266,6 @@ AR { specie { - nMoles 1; molWeight 39.948; } thermodynamics @@ -1341,7 +1290,6 @@ NO { specie { - nMoles 1; molWeight 30.0061; } thermodynamics @@ -1367,7 +1315,6 @@ CH { specie { - nMoles 1; molWeight 13.0191; } thermodynamics diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGas index 33208fc6c..8e3adfc37 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGas +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } elements @@ -45,7 +44,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } elements @@ -72,7 +70,6 @@ CH4 { specie { - nMoles 1; molWeight 16.0428; } elements @@ -99,7 +96,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } elements @@ -126,7 +122,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } elements diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI index 00d5cd86d..f709692e9 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI/constant/thermo.compressibleGasGRI @@ -2,7 +2,6 @@ OH { specie { - nMoles 1; molWeight 17.0074; } thermodynamics @@ -28,7 +27,6 @@ CN { specie { - nMoles 1; molWeight 26.0179; } thermodynamics @@ -54,7 +52,6 @@ C2H3 { specie { - nMoles 1; molWeight 27.0462; } thermodynamics @@ -80,7 +77,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics @@ -105,7 +101,6 @@ HOCN { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -133,7 +128,6 @@ N { specie { - nMoles 1; molWeight 14.0067; } thermodynamics @@ -158,7 +152,6 @@ C2H { specie { - nMoles 1; molWeight 25.0303; } thermodynamics @@ -184,7 +177,6 @@ HNO { specie { - nMoles 1; molWeight 31.0141; } thermodynamics @@ -211,7 +203,6 @@ CH2CO { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -238,7 +229,6 @@ CH3 { specie { - nMoles 1; molWeight 15.0351; } thermodynamics @@ -264,7 +254,6 @@ C2H5 { specie { - nMoles 1; molWeight 29.0622; } thermodynamics @@ -290,7 +279,6 @@ C2H4 { specie { - nMoles 1; molWeight 28.0542; } thermodynamics @@ -316,7 +304,6 @@ C3H8 { specie { - nMoles 1; molWeight 44.0972; } thermodynamics @@ -342,7 +329,6 @@ HCN { specie { - nMoles 1; molWeight 27.0258; } thermodynamics @@ -369,7 +355,6 @@ C2H6 { specie { - nMoles 1; molWeight 30.0701; } thermodynamics @@ -395,7 +380,6 @@ NH3 { specie { - nMoles 1; molWeight 17.0306; } thermodynamics @@ -421,7 +405,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -447,7 +430,6 @@ C2H2 { specie { - nMoles 1; molWeight 26.0382; } thermodynamics @@ -473,7 +455,6 @@ CH2OH { specie { - nMoles 1; molWeight 31.0345; } thermodynamics @@ -500,7 +481,6 @@ H2CN { specie { - nMoles 1; molWeight 28.0338; } thermodynamics @@ -527,7 +507,6 @@ HCCOH { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -554,7 +533,6 @@ H2O2 { specie { - nMoles 1; molWeight 34.0147; } thermodynamics @@ -580,7 +558,6 @@ HCO { specie { - nMoles 1; molWeight 29.0185; } thermodynamics @@ -607,7 +584,6 @@ NNH { specie { - nMoles 1; molWeight 29.0214; } thermodynamics @@ -633,7 +609,6 @@ N2O { specie { - nMoles 1; molWeight 44.0128; } thermodynamics @@ -659,7 +634,6 @@ CH2(S) { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -685,7 +659,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -710,7 +683,6 @@ CH2CHO { specie { - nMoles 1; molWeight 43.0456; } thermodynamics @@ -737,7 +709,6 @@ HNCO { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -765,7 +736,6 @@ HCCO { specie { - nMoles 1; molWeight 41.0297; } thermodynamics @@ -792,7 +762,6 @@ H2 { specie { - nMoles 1; molWeight 2.01594; } thermodynamics @@ -817,7 +786,6 @@ NO2 { specie { - nMoles 1; molWeight 46.0055; } thermodynamics @@ -843,7 +811,6 @@ CH4 { specie { - nMoles 1; molWeight 16.043; } thermodynamics @@ -869,7 +836,6 @@ C { specie { - nMoles 1; molWeight 12.0112; } thermodynamics @@ -894,7 +860,6 @@ HO2 { specie { - nMoles 1; molWeight 33.0068; } thermodynamics @@ -920,7 +885,6 @@ CH3CHO { specie { - nMoles 1; molWeight 44.0536; } thermodynamics @@ -947,7 +911,6 @@ C3H7 { specie { - nMoles 1; molWeight 43.0892; } thermodynamics @@ -973,7 +936,6 @@ CH3OH { specie { - nMoles 1; molWeight 32.0424; } thermodynamics @@ -1000,7 +962,6 @@ CH2O { specie { - nMoles 1; molWeight 30.0265; } thermodynamics @@ -1027,7 +988,6 @@ CO { specie { - nMoles 1; molWeight 28.0106; } thermodynamics @@ -1053,7 +1013,6 @@ CH3O { specie { - nMoles 1; molWeight 31.0345; } thermodynamics @@ -1080,7 +1039,6 @@ O { specie { - nMoles 1; molWeight 15.9994; } thermodynamics @@ -1105,7 +1063,6 @@ HCNN { specie { - nMoles 1; molWeight 41.0325; } thermodynamics @@ -1132,7 +1089,6 @@ NCO { specie { - nMoles 1; molWeight 42.0173; } thermodynamics @@ -1159,7 +1115,6 @@ CH2 { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -1185,7 +1140,6 @@ HCNO { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -1213,7 +1167,6 @@ NH2 { specie { - nMoles 1; molWeight 16.0226; } thermodynamics @@ -1239,7 +1192,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -1265,7 +1217,6 @@ NH { specie { - nMoles 1; molWeight 15.0147; } thermodynamics @@ -1291,7 +1242,6 @@ H { specie { - nMoles 1; molWeight 1.00797; } thermodynamics @@ -1316,7 +1266,6 @@ AR { specie { - nMoles 1; molWeight 39.948; } thermodynamics @@ -1341,7 +1290,6 @@ NO { specie { - nMoles 1; molWeight 30.0061; } thermodynamics @@ -1367,7 +1315,6 @@ CH { specie { - nMoles 1; molWeight 13.0191; } thermodynamics diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGas index 33208fc6c..8e3adfc37 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGas +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } elements @@ -45,7 +44,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } elements @@ -72,7 +70,6 @@ CH4 { specie { - nMoles 1; molWeight 16.0428; } elements @@ -99,7 +96,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } elements @@ -126,7 +122,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } elements diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI index 00d5cd86d..f709692e9 100644 --- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI +++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC/constant/thermo.compressibleGasGRI @@ -2,7 +2,6 @@ OH { specie { - nMoles 1; molWeight 17.0074; } thermodynamics @@ -28,7 +27,6 @@ CN { specie { - nMoles 1; molWeight 26.0179; } thermodynamics @@ -54,7 +52,6 @@ C2H3 { specie { - nMoles 1; molWeight 27.0462; } thermodynamics @@ -80,7 +77,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics @@ -105,7 +101,6 @@ HOCN { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -133,7 +128,6 @@ N { specie { - nMoles 1; molWeight 14.0067; } thermodynamics @@ -158,7 +152,6 @@ C2H { specie { - nMoles 1; molWeight 25.0303; } thermodynamics @@ -184,7 +177,6 @@ HNO { specie { - nMoles 1; molWeight 31.0141; } thermodynamics @@ -211,7 +203,6 @@ CH2CO { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -238,7 +229,6 @@ CH3 { specie { - nMoles 1; molWeight 15.0351; } thermodynamics @@ -264,7 +254,6 @@ C2H5 { specie { - nMoles 1; molWeight 29.0622; } thermodynamics @@ -290,7 +279,6 @@ C2H4 { specie { - nMoles 1; molWeight 28.0542; } thermodynamics @@ -316,7 +304,6 @@ C3H8 { specie { - nMoles 1; molWeight 44.0972; } thermodynamics @@ -342,7 +329,6 @@ HCN { specie { - nMoles 1; molWeight 27.0258; } thermodynamics @@ -369,7 +355,6 @@ C2H6 { specie { - nMoles 1; molWeight 30.0701; } thermodynamics @@ -395,7 +380,6 @@ NH3 { specie { - nMoles 1; molWeight 17.0306; } thermodynamics @@ -421,7 +405,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -447,7 +430,6 @@ C2H2 { specie { - nMoles 1; molWeight 26.0382; } thermodynamics @@ -473,7 +455,6 @@ CH2OH { specie { - nMoles 1; molWeight 31.0345; } thermodynamics @@ -500,7 +481,6 @@ H2CN { specie { - nMoles 1; molWeight 28.0338; } thermodynamics @@ -527,7 +507,6 @@ HCCOH { specie { - nMoles 1; molWeight 42.0376; } thermodynamics @@ -554,7 +533,6 @@ H2O2 { specie { - nMoles 1; molWeight 34.0147; } thermodynamics @@ -580,7 +558,6 @@ HCO { specie { - nMoles 1; molWeight 29.0185; } thermodynamics @@ -607,7 +584,6 @@ NNH { specie { - nMoles 1; molWeight 29.0214; } thermodynamics @@ -633,7 +609,6 @@ N2O { specie { - nMoles 1; molWeight 44.0128; } thermodynamics @@ -659,7 +634,6 @@ CH2(S) { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -685,7 +659,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -710,7 +683,6 @@ CH2CHO { specie { - nMoles 1; molWeight 43.0456; } thermodynamics @@ -737,7 +709,6 @@ HNCO { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -765,7 +736,6 @@ HCCO { specie { - nMoles 1; molWeight 41.0297; } thermodynamics @@ -792,7 +762,6 @@ H2 { specie { - nMoles 1; molWeight 2.01594; } thermodynamics @@ -817,7 +786,6 @@ NO2 { specie { - nMoles 1; molWeight 46.0055; } thermodynamics @@ -843,7 +811,6 @@ CH4 { specie { - nMoles 1; molWeight 16.043; } thermodynamics @@ -869,7 +836,6 @@ C { specie { - nMoles 1; molWeight 12.0112; } thermodynamics @@ -894,7 +860,6 @@ HO2 { specie { - nMoles 1; molWeight 33.0068; } thermodynamics @@ -920,7 +885,6 @@ CH3CHO { specie { - nMoles 1; molWeight 44.0536; } thermodynamics @@ -947,7 +911,6 @@ C3H7 { specie { - nMoles 1; molWeight 43.0892; } thermodynamics @@ -973,7 +936,6 @@ CH3OH { specie { - nMoles 1; molWeight 32.0424; } thermodynamics @@ -1000,7 +962,6 @@ CH2O { specie { - nMoles 1; molWeight 30.0265; } thermodynamics @@ -1027,7 +988,6 @@ CO { specie { - nMoles 1; molWeight 28.0106; } thermodynamics @@ -1053,7 +1013,6 @@ CH3O { specie { - nMoles 1; molWeight 31.0345; } thermodynamics @@ -1080,7 +1039,6 @@ O { specie { - nMoles 1; molWeight 15.9994; } thermodynamics @@ -1105,7 +1063,6 @@ HCNN { specie { - nMoles 1; molWeight 41.0325; } thermodynamics @@ -1132,7 +1089,6 @@ NCO { specie { - nMoles 1; molWeight 42.0173; } thermodynamics @@ -1159,7 +1115,6 @@ CH2 { specie { - nMoles 1; molWeight 14.0271; } thermodynamics @@ -1185,7 +1140,6 @@ HCNO { specie { - nMoles 1; molWeight 43.0252; } thermodynamics @@ -1213,7 +1167,6 @@ NH2 { specie { - nMoles 1; molWeight 16.0226; } thermodynamics @@ -1239,7 +1192,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -1265,7 +1217,6 @@ NH { specie { - nMoles 1; molWeight 15.0147; } thermodynamics @@ -1291,7 +1242,6 @@ H { specie { - nMoles 1; molWeight 1.00797; } thermodynamics @@ -1316,7 +1266,6 @@ AR { specie { - nMoles 1; molWeight 39.948; } thermodynamics @@ -1341,7 +1290,6 @@ NO { specie { - nMoles 1; molWeight 30.0061; } thermodynamics @@ -1367,7 +1315,6 @@ CH { specie { - nMoles 1; molWeight 13.0191; } thermodynamics diff --git a/tutorials/compressible/rhoCentralDyMFoam/movingCone/constant/thermophysicalProperties b/tutorials/compressible/rhoCentralDyMFoam/movingCone/constant/thermophysicalProperties index 582e7e1ac..112ba7f12 100644 --- a/tutorials/compressible/rhoCentralDyMFoam/movingCone/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoCentralDyMFoam/movingCone/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/constant/thermophysicalProperties b/tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/constant/thermophysicalProperties index f7ae5e91d..bd0da1ae5 100644 --- a/tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.96; } thermodynamics diff --git a/tutorials/compressible/rhoCentralFoam/biconic25-55Run35/constant/thermophysicalProperties b/tutorials/compressible/rhoCentralFoam/biconic25-55Run35/constant/thermophysicalProperties index 311e40d8f..b4813dcb6 100644 --- a/tutorials/compressible/rhoCentralFoam/biconic25-55Run35/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoCentralFoam/biconic25-55Run35/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.01348; } thermodynamics diff --git a/tutorials/compressible/rhoCentralFoam/forwardStep/constant/thermophysicalProperties b/tutorials/compressible/rhoCentralFoam/forwardStep/constant/thermophysicalProperties index f26f216f9..d78a252ec 100644 --- a/tutorials/compressible/rhoCentralFoam/forwardStep/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoCentralFoam/forwardStep/constant/thermophysicalProperties @@ -33,7 +33,6 @@ mixture { specie { - nMoles 1; molWeight 11640.3; } thermodynamics diff --git a/tutorials/compressible/rhoCentralFoam/obliqueShock/constant/thermophysicalProperties b/tutorials/compressible/rhoCentralFoam/obliqueShock/constant/thermophysicalProperties index 20369bc4a..82a7d7e92 100644 --- a/tutorials/compressible/rhoCentralFoam/obliqueShock/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoCentralFoam/obliqueShock/constant/thermophysicalProperties @@ -31,7 +31,6 @@ mixture // normalised gas specie { - nMoles 1; molWeight 11640.3; } thermodynamics diff --git a/tutorials/compressible/rhoCentralFoam/shockTube/constant/thermophysicalProperties b/tutorials/compressible/rhoCentralFoam/shockTube/constant/thermophysicalProperties index dff8b1620..8db0e85de 100644 --- a/tutorials/compressible/rhoCentralFoam/shockTube/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoCentralFoam/shockTube/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.96; } thermodynamics diff --git a/tutorials/compressible/rhoCentralFoam/wedge15Ma5/constant/thermophysicalProperties b/tutorials/compressible/rhoCentralFoam/wedge15Ma5/constant/thermophysicalProperties index 20369bc4a..82a7d7e92 100644 --- a/tutorials/compressible/rhoCentralFoam/wedge15Ma5/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoCentralFoam/wedge15Ma5/constant/thermophysicalProperties @@ -31,7 +31,6 @@ mixture // normalised gas specie { - nMoles 1; molWeight 11640.3; } thermodynamics diff --git a/tutorials/compressible/rhoPimpleDyMFoam/annularThermalMixer/constant/thermophysicalProperties b/tutorials/compressible/rhoPimpleDyMFoam/annularThermalMixer/constant/thermophysicalProperties index 7182386e0..32542b344 100644 --- a/tutorials/compressible/rhoPimpleDyMFoam/annularThermalMixer/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoPimpleDyMFoam/annularThermalMixer/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoPimpleFoam/LES/pitzDaily/constant/thermophysicalProperties b/tutorials/compressible/rhoPimpleFoam/LES/pitzDaily/constant/thermophysicalProperties index 392e2e045..665522c09 100644 --- a/tutorials/compressible/rhoPimpleFoam/LES/pitzDaily/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoPimpleFoam/LES/pitzDaily/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoPimpleFoam/RAS/angledDuct/constant/thermophysicalProperties b/tutorials/compressible/rhoPimpleFoam/RAS/angledDuct/constant/thermophysicalProperties index 7182386e0..32542b344 100644 --- a/tutorials/compressible/rhoPimpleFoam/RAS/angledDuct/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoPimpleFoam/RAS/angledDuct/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoPimpleFoam/RAS/angledDuctLTS/constant/thermophysicalProperties b/tutorials/compressible/rhoPimpleFoam/RAS/angledDuctLTS/constant/thermophysicalProperties index 7182386e0..32542b344 100644 --- a/tutorials/compressible/rhoPimpleFoam/RAS/angledDuctLTS/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoPimpleFoam/RAS/angledDuctLTS/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoPimpleFoam/RAS/cavity/constant/thermophysicalProperties b/tutorials/compressible/rhoPimpleFoam/RAS/cavity/constant/thermophysicalProperties index 6671abebe..56843556d 100644 --- a/tutorials/compressible/rhoPimpleFoam/RAS/cavity/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoPimpleFoam/RAS/cavity/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoPimpleFoam/RAS/mixerVessel2D/constant/thermophysicalProperties b/tutorials/compressible/rhoPimpleFoam/RAS/mixerVessel2D/constant/thermophysicalProperties index 82e3c59f8..861ac55c7 100644 --- a/tutorials/compressible/rhoPimpleFoam/RAS/mixerVessel2D/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoPimpleFoam/RAS/mixerVessel2D/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoPimpleFoam/laminar/helmholtzResonance/constant/thermophysicalProperties b/tutorials/compressible/rhoPimpleFoam/laminar/helmholtzResonance/constant/thermophysicalProperties index 392e2e045..665522c09 100644 --- a/tutorials/compressible/rhoPimpleFoam/laminar/helmholtzResonance/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoPimpleFoam/laminar/helmholtzResonance/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoPorousSimpleFoam/angledDuctImplicit/constant/thermophysicalProperties b/tutorials/compressible/rhoPorousSimpleFoam/angledDuctImplicit/constant/thermophysicalProperties index 920fff435..75b4b67f3 100644 --- a/tutorials/compressible/rhoPorousSimpleFoam/angledDuctImplicit/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoPorousSimpleFoam/angledDuctImplicit/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoSimpleFoam/angledDuctExplicitFixedCoeff/constant/thermophysicalProperties b/tutorials/compressible/rhoSimpleFoam/angledDuctExplicitFixedCoeff/constant/thermophysicalProperties index db1f5947a..c4bdac2f8 100644 --- a/tutorials/compressible/rhoSimpleFoam/angledDuctExplicitFixedCoeff/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoSimpleFoam/angledDuctExplicitFixedCoeff/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/rhoSimpleFoam/squareBend/constant/thermophysicalProperties b/tutorials/compressible/rhoSimpleFoam/squareBend/constant/thermophysicalProperties index 8658d3da8..7fc31fc96 100644 --- a/tutorials/compressible/rhoSimpleFoam/squareBend/constant/thermophysicalProperties +++ b/tutorials/compressible/rhoSimpleFoam/squareBend/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/sonicDyMFoam/movingCone/constant/thermophysicalProperties b/tutorials/compressible/sonicDyMFoam/movingCone/constant/thermophysicalProperties index 582e7e1ac..112ba7f12 100644 --- a/tutorials/compressible/sonicDyMFoam/movingCone/constant/thermophysicalProperties +++ b/tutorials/compressible/sonicDyMFoam/movingCone/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/sonicFoam/RAS/nacaAirfoil/constant/thermophysicalProperties b/tutorials/compressible/sonicFoam/RAS/nacaAirfoil/constant/thermophysicalProperties index 341cdb94d..56c00e754 100644 --- a/tutorials/compressible/sonicFoam/RAS/nacaAirfoil/constant/thermophysicalProperties +++ b/tutorials/compressible/sonicFoam/RAS/nacaAirfoil/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/sonicFoam/RAS/prism/constant/thermophysicalProperties b/tutorials/compressible/sonicFoam/RAS/prism/constant/thermophysicalProperties index 341cdb94d..56c00e754 100644 --- a/tutorials/compressible/sonicFoam/RAS/prism/constant/thermophysicalProperties +++ b/tutorials/compressible/sonicFoam/RAS/prism/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/compressible/sonicFoam/laminar/forwardStep/constant/thermophysicalProperties b/tutorials/compressible/sonicFoam/laminar/forwardStep/constant/thermophysicalProperties index f26f216f9..d78a252ec 100644 --- a/tutorials/compressible/sonicFoam/laminar/forwardStep/constant/thermophysicalProperties +++ b/tutorials/compressible/sonicFoam/laminar/forwardStep/constant/thermophysicalProperties @@ -33,7 +33,6 @@ mixture { specie { - nMoles 1; molWeight 11640.3; } thermodynamics diff --git a/tutorials/compressible/sonicFoam/laminar/shockTube/constant/thermophysicalProperties b/tutorials/compressible/sonicFoam/laminar/shockTube/constant/thermophysicalProperties index 7d0bc7caf..de265e60e 100644 --- a/tutorials/compressible/sonicFoam/laminar/shockTube/constant/thermophysicalProperties +++ b/tutorials/compressible/sonicFoam/laminar/shockTube/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/heatTransfer/buoyantPimpleFoam/hotRoom/constant/thermophysicalProperties b/tutorials/heatTransfer/buoyantPimpleFoam/hotRoom/constant/thermophysicalProperties index ab678e4d8..dcecaaf3c 100644 --- a/tutorials/heatTransfer/buoyantPimpleFoam/hotRoom/constant/thermophysicalProperties +++ b/tutorials/heatTransfer/buoyantPimpleFoam/hotRoom/constant/thermophysicalProperties @@ -32,7 +32,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/heatTransfer/buoyantSimpleFoam/buoyantCavity/constant/thermophysicalProperties b/tutorials/heatTransfer/buoyantSimpleFoam/buoyantCavity/constant/thermophysicalProperties index 95579e34c..516edffaa 100644 --- a/tutorials/heatTransfer/buoyantSimpleFoam/buoyantCavity/constant/thermophysicalProperties +++ b/tutorials/heatTransfer/buoyantSimpleFoam/buoyantCavity/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.96; } thermodynamics diff --git a/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/0.orig/include/1DBaffle/1DbaffleSolidThermo b/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/0.orig/include/1DBaffle/1DbaffleSolidThermo index 82a4468a9..cf3af70f1 100644 --- a/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/0.orig/include/1DBaffle/1DbaffleSolidThermo +++ b/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/0.orig/include/1DBaffle/1DbaffleSolidThermo @@ -8,7 +8,6 @@ specie { - nMoles 1; molWeight 20; } transport diff --git a/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/0.orig/include/3DBaffle/3DbaffleSolidThermo b/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/0.orig/include/3DBaffle/3DbaffleSolidThermo index 05d8ca3f7..751501e13 100644 --- a/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/0.orig/include/3DBaffle/3DbaffleSolidThermo +++ b/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/0.orig/include/3DBaffle/3DbaffleSolidThermo @@ -22,7 +22,6 @@ mixture { specie { - nMoles 1; molWeight 20; } transport diff --git a/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/constant/thermophysicalProperties b/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/constant/thermophysicalProperties index 95579e34c..516edffaa 100644 --- a/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/constant/thermophysicalProperties +++ b/tutorials/heatTransfer/buoyantSimpleFoam/circuitBoardCooling/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.96; } thermodynamics diff --git a/tutorials/heatTransfer/buoyantSimpleFoam/externalCoupledCavity/constant/thermophysicalProperties b/tutorials/heatTransfer/buoyantSimpleFoam/externalCoupledCavity/constant/thermophysicalProperties index 95579e34c..516edffaa 100644 --- a/tutorials/heatTransfer/buoyantSimpleFoam/externalCoupledCavity/constant/thermophysicalProperties +++ b/tutorials/heatTransfer/buoyantSimpleFoam/externalCoupledCavity/constant/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.96; } thermodynamics diff --git a/tutorials/heatTransfer/buoyantSimpleFoam/hotRadiationRoom/constant/thermophysicalProperties b/tutorials/heatTransfer/buoyantSimpleFoam/hotRadiationRoom/constant/thermophysicalProperties index ab678e4d8..dcecaaf3c 100644 --- a/tutorials/heatTransfer/buoyantSimpleFoam/hotRadiationRoom/constant/thermophysicalProperties +++ b/tutorials/heatTransfer/buoyantSimpleFoam/hotRadiationRoom/constant/thermophysicalProperties @@ -32,7 +32,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/heatTransfer/buoyantSimpleFoam/hotRadiationRoomFvDOM/constant/thermophysicalProperties b/tutorials/heatTransfer/buoyantSimpleFoam/hotRadiationRoomFvDOM/constant/thermophysicalProperties index ab678e4d8..dcecaaf3c 100644 --- a/tutorials/heatTransfer/buoyantSimpleFoam/hotRadiationRoomFvDOM/constant/thermophysicalProperties +++ b/tutorials/heatTransfer/buoyantSimpleFoam/hotRadiationRoomFvDOM/constant/thermophysicalProperties @@ -32,7 +32,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/bottomWater/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/bottomWater/thermophysicalProperties index 828c78d20..c82346a41 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/bottomWater/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/bottomWater/thermophysicalProperties @@ -29,7 +29,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/heater/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/heater/thermophysicalProperties index edb01db8b..97bdf4629 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/heater/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/heater/thermophysicalProperties @@ -29,7 +29,6 @@ mixture { specie { - nMoles 1; molWeight 50; } diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/topAir/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/topAir/thermophysicalProperties index c293c032a..8309d666a 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/topAir/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/multiRegionHeater/constant/topAir/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/snappyMultiRegionHeater/constant/bottomAir/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionFoam/snappyMultiRegionHeater/constant/bottomAir/thermophysicalProperties index c293c032a..8309d666a 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/snappyMultiRegionHeater/constant/bottomAir/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/snappyMultiRegionHeater/constant/bottomAir/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/heatTransfer/chtMultiRegionFoam/snappyMultiRegionHeater/constant/heater/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionFoam/snappyMultiRegionHeater/constant/heater/thermophysicalProperties index df146b74f..3569242da 100644 --- a/tutorials/heatTransfer/chtMultiRegionFoam/snappyMultiRegionHeater/constant/heater/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionFoam/snappyMultiRegionHeater/constant/heater/thermophysicalProperties @@ -29,7 +29,6 @@ mixture { specie { - nMoles 1; molWeight 12; } diff --git a/tutorials/heatTransfer/chtMultiRegionSimpleFoam/heatExchanger/constant/air/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionSimpleFoam/heatExchanger/constant/air/thermophysicalProperties index b3c0a5899..6553fe2a2 100644 --- a/tutorials/heatTransfer/chtMultiRegionSimpleFoam/heatExchanger/constant/air/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionSimpleFoam/heatExchanger/constant/air/thermophysicalProperties @@ -32,7 +32,6 @@ mixture specie { - nMoles 1; molWeight 28.85; } equationOfState diff --git a/tutorials/heatTransfer/chtMultiRegionSimpleFoam/heatExchanger/constant/porous/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionSimpleFoam/heatExchanger/constant/porous/thermophysicalProperties index 41e355a66..4f46120b5 100644 --- a/tutorials/heatTransfer/chtMultiRegionSimpleFoam/heatExchanger/constant/porous/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionSimpleFoam/heatExchanger/constant/porous/thermophysicalProperties @@ -32,7 +32,6 @@ mixture specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/heatTransfer/chtMultiRegionSimpleFoam/multiRegionHeaterRadiation/constant/bottomAir/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionSimpleFoam/multiRegionHeaterRadiation/constant/bottomAir/thermophysicalProperties index c293c032a..8309d666a 100644 --- a/tutorials/heatTransfer/chtMultiRegionSimpleFoam/multiRegionHeaterRadiation/constant/bottomAir/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionSimpleFoam/multiRegionHeaterRadiation/constant/bottomAir/thermophysicalProperties @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/heatTransfer/chtMultiRegionSimpleFoam/multiRegionHeaterRadiation/constant/heater/thermophysicalProperties b/tutorials/heatTransfer/chtMultiRegionSimpleFoam/multiRegionHeaterRadiation/constant/heater/thermophysicalProperties index 894a9f39b..e6e7b76fe 100644 --- a/tutorials/heatTransfer/chtMultiRegionSimpleFoam/multiRegionHeaterRadiation/constant/heater/thermophysicalProperties +++ b/tutorials/heatTransfer/chtMultiRegionSimpleFoam/multiRegionHeaterRadiation/constant/heater/thermophysicalProperties @@ -29,7 +29,6 @@ mixture { specie { - nMoles 1; molWeight 12; } diff --git a/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/foam.dat b/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/foam.dat index 3b2be6691..320de4df7 100644 --- a/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/foam.dat +++ b/tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/foam.dat @@ -19,7 +19,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -41,7 +40,6 @@ CH4 { specie { - nMoles 1; molWeight 16.043; } thermodynamics @@ -63,7 +61,6 @@ H2 { specie { - nMoles 1; molWeight 2.01594; } thermodynamics @@ -85,7 +82,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -107,7 +103,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -129,7 +124,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/lagrangian/reactingParcelFilmFoam/cylinder/constant/foam.dat b/tutorials/lagrangian/reactingParcelFilmFoam/cylinder/constant/foam.dat index 1cff004fd..3521a7ef7 100644 --- a/tutorials/lagrangian/reactingParcelFilmFoam/cylinder/constant/foam.dat +++ b/tutorials/lagrangian/reactingParcelFilmFoam/cylinder/constant/foam.dat @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/lagrangian/reactingParcelFilmFoam/hotBoxes/constant/foam.dat b/tutorials/lagrangian/reactingParcelFilmFoam/hotBoxes/constant/foam.dat index 1cff004fd..3521a7ef7 100644 --- a/tutorials/lagrangian/reactingParcelFilmFoam/hotBoxes/constant/foam.dat +++ b/tutorials/lagrangian/reactingParcelFilmFoam/hotBoxes/constant/foam.dat @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/lagrangian/reactingParcelFilmFoam/rivuletPanel/constant/foam.dat b/tutorials/lagrangian/reactingParcelFilmFoam/rivuletPanel/constant/foam.dat index 1cff004fd..3521a7ef7 100644 --- a/tutorials/lagrangian/reactingParcelFilmFoam/rivuletPanel/constant/foam.dat +++ b/tutorials/lagrangian/reactingParcelFilmFoam/rivuletPanel/constant/foam.dat @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/lagrangian/reactingParcelFilmFoam/splashPanel/constant/foam.dat b/tutorials/lagrangian/reactingParcelFilmFoam/splashPanel/constant/foam.dat index 1cff004fd..3521a7ef7 100644 --- a/tutorials/lagrangian/reactingParcelFilmFoam/splashPanel/constant/foam.dat +++ b/tutorials/lagrangian/reactingParcelFilmFoam/splashPanel/constant/foam.dat @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas index ff00e560b..1bacad52c 100644 --- a/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas +++ b/tutorials/lagrangian/reactingParcelFoam/counterFlowFlame2DLTS/constant/thermo.compressibleGas @@ -19,7 +19,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } thermodynamics @@ -41,7 +40,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -63,7 +61,6 @@ CH4 { specie { - nMoles 1; molWeight 16.0428; } thermodynamics @@ -85,7 +82,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -107,7 +103,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } thermodynamics diff --git a/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly b/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly index ec4289e97..6989ffe50 100644 --- a/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/reactingParcelFoam/filter/constant/thermo.incompressiblePoly @@ -19,7 +19,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } equationOfState @@ -43,7 +42,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } equationOfState @@ -67,7 +65,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } equationOfState @@ -91,7 +88,6 @@ air { specie { - nMoles 1; molWeight 28.85; } equationOfState diff --git a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly index ec4289e97..6989ffe50 100644 --- a/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/thermo.incompressiblePoly @@ -19,7 +19,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } equationOfState @@ -43,7 +42,6 @@ O2 { specie { - nMoles 1; molWeight 31.9988; } equationOfState @@ -67,7 +65,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } equationOfState @@ -91,7 +88,6 @@ air { specie { - nMoles 1; molWeight 28.85; } equationOfState diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly index 3b8bf27df..669e2c7ad 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly @@ -19,7 +19,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } equationOfState @@ -43,7 +42,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } equationOfState @@ -67,7 +65,6 @@ air { specie { - nMoles 1; molWeight 28.85; } equationOfState diff --git a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermo.incompressiblePoly b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermo.incompressiblePoly index 3b8bf27df..669e2c7ad 100644 --- a/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/reactingParcelFoam/verticalChannelLTS/constant/thermo.incompressiblePoly @@ -19,7 +19,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } equationOfState @@ -43,7 +42,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } equationOfState @@ -67,7 +65,6 @@ air { specie { - nMoles 1; molWeight 28.85; } equationOfState diff --git a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly index 3b8bf27df..669e2c7ad 100644 --- a/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly +++ b/tutorials/lagrangian/simpleReactingParcelFoam/verticalChannel/constant/thermo.incompressiblePoly @@ -19,7 +19,6 @@ N2 { specie { - nMoles 1; molWeight 28.0134; } equationOfState @@ -43,7 +42,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } equationOfState @@ -67,7 +65,6 @@ air { specie { - nMoles 1; molWeight 28.85; } equationOfState diff --git a/tutorials/mesh/foamyQuadMesh/OpenCFD/constant/thermophysicalProperties b/tutorials/mesh/foamyQuadMesh/OpenCFD/constant/thermophysicalProperties index 4f3963307..07da53929 100644 --- a/tutorials/mesh/foamyQuadMesh/OpenCFD/constant/thermophysicalProperties +++ b/tutorials/mesh/foamyQuadMesh/OpenCFD/constant/thermophysicalProperties @@ -24,7 +24,6 @@ mixture { specie { - nMoles 1; molWeight 11640.3; } thermodynamics diff --git a/tutorials/multiphase/compressibleInterDyMFoam/RAS/sloshingTank2D/constant/thermophysicalProperties.air b/tutorials/multiphase/compressibleInterDyMFoam/RAS/sloshingTank2D/constant/thermophysicalProperties.air index e61009c10..5a63396e4 100644 --- a/tutorials/multiphase/compressibleInterDyMFoam/RAS/sloshingTank2D/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/compressibleInterDyMFoam/RAS/sloshingTank2D/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/compressibleInterDyMFoam/RAS/sloshingTank2D/constant/thermophysicalProperties.water b/tutorials/multiphase/compressibleInterDyMFoam/RAS/sloshingTank2D/constant/thermophysicalProperties.water index 1ffcbddad..8c1db784a 100644 --- a/tutorials/multiphase/compressibleInterDyMFoam/RAS/sloshingTank2D/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/compressibleInterDyMFoam/RAS/sloshingTank2D/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18.0; } equationOfState diff --git a/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge2D/constant/thermophysicalProperties.air b/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge2D/constant/thermophysicalProperties.air index e61009c10..5a63396e4 100644 --- a/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge2D/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge2D/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge2D/constant/thermophysicalProperties.water b/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge2D/constant/thermophysicalProperties.water index 1ffcbddad..8c1db784a 100644 --- a/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge2D/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge2D/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18.0; } equationOfState diff --git a/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge3D/constant/thermophysicalProperties.air b/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge3D/constant/thermophysicalProperties.air index e61009c10..5a63396e4 100644 --- a/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge3D/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge3D/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge3D/constant/thermophysicalProperties.water b/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge3D/constant/thermophysicalProperties.water index 1ffcbddad..8c1db784a 100644 --- a/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge3D/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/compressibleInterFoam/laminar/depthCharge3D/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18.0; } equationOfState diff --git a/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.air b/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.mercury b/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.mercury index e90070ef1..e82a6b9a7 100644 --- a/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.mercury +++ b/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.mercury @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 200.59; } equationOfState diff --git a/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.oil b/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.oil index 0bcdc33f4..431b0c3c1 100644 --- a/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.oil +++ b/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.oil @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 100.21; } equationOfState diff --git a/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.water b/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.water index 91e7adc38..d1cd8cb9e 100644 --- a/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/compressibleMultiphaseInterFoam/laminar/damBreak4phase/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18.0; } equationOfState diff --git a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.mercury b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.mercury index 864b73f24..04754d779 100644 --- a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.mercury +++ b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.mercury @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 200; } equationOfState diff --git a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.oil b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.oil index 7c0d16aa9..953ae48bb 100644 --- a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.oil +++ b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.oil @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 160; } equationOfState diff --git a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingMultiphaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingTwoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingTwoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/LBend/constant/thermophysicalProperties.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/LBend/constant/thermophysicalProperties.gas index a2a98f45f..9a2c2de58 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/LBend/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/LBend/constant/thermophysicalProperties.gas @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/LBend/constant/thermophysicalProperties.solids b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/LBend/constant/thermophysicalProperties.solids index 84dae4b71..3bd3e7f51 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/LBend/constant/thermophysicalProperties.solids +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/LBend/constant/thermophysicalProperties.solids @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 100; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas index dde77f087..5a836c21d 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermo.gas @@ -2,7 +2,6 @@ CO { specie { - nMoles 1; molWeight 28.0106; } thermodynamics @@ -24,7 +23,6 @@ CO2 { specie { - nMoles 1; molWeight 44.01; } thermodynamics @@ -46,7 +44,6 @@ H2 { specie { - nMoles 1; molWeight 2.01594; } thermodynamics @@ -68,7 +65,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -90,7 +86,6 @@ AIR { specie { - nMoles 1; molWeight 28.9596; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.liquid b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.liquid index 90073f75e..f5bae7e9c 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.liquid +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/bubbleColumnEvaporatingReacting/constant/thermophysicalProperties.liquid @@ -38,7 +38,6 @@ inertSpecie H2O; { specie { - nMoles 1; molWeight 18.0153; } equationOfState @@ -62,7 +61,6 @@ AIR { specie { - nMoles 1; molWeight 28.9; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.particles b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.particles index 7508b70aa..e710b21d5 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.particles +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.particles @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 100; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoiling/constant/thermophysicalProperties.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoiling/constant/thermophysicalProperties.gas index 7b3b350ea..31715a77a 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoiling/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoiling/constant/thermophysicalProperties.gas @@ -43,7 +43,6 @@ water { specie { - nMoles 1; molWeight 18.0153; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoiling/constant/thermophysicalProperties.liquid b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoiling/constant/thermophysicalProperties.liquid index 7406b2ce4..7d579f06c 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoiling/constant/thermophysicalProperties.liquid +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoiling/constant/thermophysicalProperties.liquid @@ -39,7 +39,6 @@ inertSpecie water; { specie { - nMoles 1; molWeight 18.0153; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoilingIATE/constant/thermophysicalProperties.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoilingIATE/constant/thermophysicalProperties.gas index 7b3b350ea..31715a77a 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoilingIATE/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoilingIATE/constant/thermophysicalProperties.gas @@ -43,7 +43,6 @@ water { specie { - nMoles 1; molWeight 18.0153; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoilingIATE/constant/thermophysicalProperties.liquid b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoilingIATE/constant/thermophysicalProperties.liquid index 7406b2ce4..7d579f06c 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoilingIATE/constant/thermophysicalProperties.liquid +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/RAS/wallBoilingIATE/constant/thermophysicalProperties.liquid @@ -39,7 +39,6 @@ inertSpecie water; { specie { - nMoles 1; molWeight 18.0153; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.gas index 0bfc34018..68649a6af 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.gas @@ -38,7 +38,6 @@ H2O { specie { - nMoles 1; molWeight 18.0153; } thermodynamics @@ -60,7 +59,6 @@ air { specie { - nMoles 1; molWeight 28.9596; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.liquid b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.liquid index 2f486f8be..41529cc02 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.liquid +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporating/constant/thermophysicalProperties.liquid @@ -38,7 +38,6 @@ inertSpecie H2O; { specie { - nMoles 1; molWeight 18.0153; } equationOfState @@ -62,7 +61,6 @@ air { specie { - nMoles 1; molWeight 28.9; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.gas b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.gas index 8b8132932..3c54e2737 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.gas +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.gas @@ -38,7 +38,6 @@ inertSpecie air; { specie { - nMoles 1; molWeight 28.9; } thermodynamics @@ -57,7 +56,6 @@ water { specie { - nMoles 1; molWeight 18.0153; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.liquid b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.liquid index 22a48eded..a5db4a1f2 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.liquid +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnEvaporatingDissolving/constant/thermophysicalProperties.liquid @@ -38,7 +38,6 @@ inertSpecie water; { specie { - nMoles 1; molWeight 18.0153; } equationOfState @@ -62,7 +61,6 @@ air { specie { - nMoles 1; molWeight 28.9; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.particles b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.particles index 7508b70aa..e710b21d5 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.particles +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.particles @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 100; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/steamInjection/constant/thermophysicalProperties.steam b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/steamInjection/constant/thermophysicalProperties.steam index 4053b173e..73efe39b1 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/steamInjection/constant/thermophysicalProperties.steam +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/steamInjection/constant/thermophysicalProperties.steam @@ -37,7 +37,6 @@ water { specie { - nMoles 1; molWeight 18.0153; } diff --git a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/steamInjection/constant/thermophysicalProperties.water b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/steamInjection/constant/thermophysicalProperties.water index 3e40c9dce..84cdbf196 100644 --- a/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/steamInjection/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/reactingTwoPhaseEulerFoam/laminar/steamInjection/constant/thermophysicalProperties.water @@ -37,7 +37,6 @@ water { specie { - nMoles 1; molWeight 18.0153; } diff --git a/tutorials/multiphase/twoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.air b/tutorials/multiphase/twoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/twoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/twoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.water b/tutorials/multiphase/twoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/twoPhaseEulerFoam/LES/bubbleColumn/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/twoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.air b/tutorials/multiphase/twoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/twoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/twoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.water b/tutorials/multiphase/twoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/twoPhaseEulerFoam/RAS/bubbleColumn/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/twoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.air b/tutorials/multiphase/twoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/twoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/twoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.particles b/tutorials/multiphase/twoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.particles index 7508b70aa..e710b21d5 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.particles +++ b/tutorials/multiphase/twoPhaseEulerFoam/RAS/fluidisedBed/constant/thermophysicalProperties.particles @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 100; } equationOfState diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air b/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water b/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumn/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.air b/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.water b/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/bubbleColumnIATE/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.air b/tutorials/multiphase/twoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.particles b/tutorials/multiphase/twoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.particles index 7508b70aa..e710b21d5 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.particles +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/fluidisedBed/constant/thermophysicalProperties.particles @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 100; } equationOfState diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.air b/tutorials/multiphase/twoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.water b/tutorials/multiphase/twoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/injection/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air b/tutorials/multiphase/twoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air index befc0aeae..eb9bb8ab7 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.air @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 28.9; } thermodynamics diff --git a/tutorials/multiphase/twoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water b/tutorials/multiphase/twoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water index c44c005d3..31d8cf058 100644 --- a/tutorials/multiphase/twoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water +++ b/tutorials/multiphase/twoPhaseEulerFoam/laminar/mixerVessel2D/constant/thermophysicalProperties.water @@ -30,7 +30,6 @@ mixture { specie { - nMoles 1; molWeight 18; } equationOfState