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.
This commit is contained in:
Henry Weller
2017-02-17 11:22:14 +00:00
parent 2d4bec327c
commit abc50e214c
356 changed files with 2654 additions and 6318 deletions

View File

@ -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

View File

@ -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;
}

View File

@ -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

View File

@ -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

View File

@ -19,7 +19,6 @@ wood
{
specie
{
nMoles 1;
molWeight 100;
}
transport
@ -41,7 +40,6 @@ char
{
specie
{
nMoles 1;
molWeight 50;
}
transport

View File

@ -46,7 +46,6 @@ gas
{
specie
{
nMoles 1;
molWeight 18.0153;
}
thermodynamics

View File

@ -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

View File

@ -19,7 +19,6 @@ wood
{
specie
{
nMoles 1;
molWeight 100;
}
transport
@ -41,7 +40,6 @@ char
{
specie
{
nMoles 1;
molWeight 50;
}
transport

View File

@ -46,7 +46,6 @@ gas
{
specie
{
nMoles 1;
molWeight 18.0153;
}
thermodynamics

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.96;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.01348;
}
thermodynamics

View File

@ -33,7 +33,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 11640.3;
}
thermodynamics

View File

@ -31,7 +31,6 @@ mixture
// normalised gas
specie
{
nMoles 1;
molWeight 11640.3;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.96;
}
thermodynamics

View File

@ -31,7 +31,6 @@ mixture
// normalised gas
specie
{
nMoles 1;
molWeight 11640.3;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -33,7 +33,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 11640.3;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -32,7 +32,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.96;
}
thermodynamics

View File

@ -8,7 +8,6 @@
specie
{
nMoles 1;
molWeight 20;
}
transport

View File

@ -22,7 +22,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 20;
}
transport

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.96;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.96;
}
thermodynamics

View File

@ -32,7 +32,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -32,7 +32,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -29,7 +29,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18;
}
equationOfState

View File

@ -29,7 +29,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 50;
}

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -29,7 +29,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 12;
}

View File

@ -32,7 +32,6 @@ mixture
specie
{
nMoles 1;
molWeight 28.85;
}
equationOfState

View File

@ -32,7 +32,6 @@ mixture
specie
{
nMoles 1;
molWeight 18;
}
equationOfState

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -29,7 +29,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 12;
}

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -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

View File

@ -24,7 +24,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 11640.3;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18.0;
}
equationOfState

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18.0;
}
equationOfState

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18.0;
}
equationOfState

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

View File

@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 200.59;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 100.21;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18.0;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 200;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 160;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 100;
}
equationOfState

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 18;
}
equationOfState

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@ -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

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@ -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

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 28.9;
}
thermodynamics

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@ -30,7 +30,6 @@ mixture
{
specie
{
nMoles 1;
molWeight 100;
}
equationOfState

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@ -43,7 +43,6 @@ water
{
specie
{
nMoles 1;
molWeight 18.0153;
}
equationOfState

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@ -39,7 +39,6 @@ inertSpecie water;
{
specie
{
nMoles 1;
molWeight 18.0153;
}
equationOfState

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@ -43,7 +43,6 @@ water
{
specie
{
nMoles 1;
molWeight 18.0153;
}
equationOfState

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