The combustion and chemistry models no longer select and own the
thermodynamic model; they hold a reference instead. The construction of
the combustion and chemistry models has been changed to require a
reference to the thermodyanmics, rather than the mesh and a phase name.
At the solver-level the thermo, turbulence and combustion models are now
selected in sequence. The cyclic dependency between the three models has
been resolved, and the raw-pointer based post-construction step for the
combustion model has been removed.
The old solver-level construction sequence (typically in createFields.H)
was as follows:
autoPtr<combustionModels::psiCombustionModel> combustion
(
combustionModels::psiCombustionModel::New(mesh)
);
psiReactionThermo& thermo = combustion->thermo();
// Create rho, U, phi, etc...
autoPtr<compressible::turbulenceModel> turbulence
(
compressible::turbulenceModel::New(rho, U, phi, thermo)
);
combustion->setTurbulence(*turbulence);
The new sequence is:
autoPtr<psiReactionThermo> thermo(psiReactionThermo::New(mesh));
// Create rho, U, phi, etc...
autoPtr<compressible::turbulenceModel> turbulence
(
compressible::turbulenceModel::New(rho, U, phi, *thermo)
);
autoPtr<combustionModels::psiCombustionModel> combustion
(
combustionModels::psiCombustionModel::New(*thermo, *turbulence)
);
ENH: combustionModel, chemistryModel: Simplified model selection
The combustion and chemistry model selection has been simplified so
that the user does not have to specify the form of the thermodynamics.
Examples of new combustion and chemistry entries are as follows:
In constant/combustionProperties:
combustionModel PaSR;
combustionModel FSD;
In constant/chemistryProperties:
chemistryType
{
solver ode;
method TDAC;
}
All the angle bracket parts of the model names (e.g.,
<psiThermoCombustion,gasHThermoPhysics>) have been removed as well as
the chemistryThermo entry.
The changes are mostly backward compatible. Only support for the
angle bracket form of chemistry solver names has been removed. Warnings
will print if some of the old entries are used, as the parts relating to
thermodynamics are now ignored.
ENH: combustionModel, chemistryModel: Simplified model selection
Updated all tutorials to the new format
STYLE: combustionModel: Namespace changes
Wrapped combustion model make macros in the Foam namespace and removed
combustion model namespace from the base classes. This fixes a namespace
specialisation bug in gcc 4.8. It is also somewhat less verbose in the
solvers.
This resolves bug report https://bugs.openfoam.org/view.php?id=2787
ENH: combustionModels: Default to the "none" model
When the constant/combustionProperties dictionary is missing, the solver
will now default to the "none" model. This is consistent with how
radiation models are selected.
Support the following expansions when they occur at the start of a
string:
Short-form Equivalent
========= ===========
<etc>/ ~OpenFOAM/ (as per foamEtcFile)
<case>/ $FOAM_CASE/
<constant>/ $FOAM_CASE/constant/
<system>/ $FOAM_CASE/system/
These can be used in fileName expansions to improve clarity and reduce
some typing
"<constant>/reactions" vs "$FOAM_CASE/constant/reactions"
and the continuous-phase simulation type
For LTS and steady-state simulations the transient option does not need to be
provided as only steady-state tracking is appropriate. For transient running
the Lagrangian tracking may be steady or transient.
The entries for liquid and solid species can now be simply be the name unless
property coefficients are overridden in which are specified in a dictionary as
before e.g. in the tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek case
the water is simply specified
liquids
{
H2O;
}
and solid ash uses standard coefficients but the coefficients for carbon are
overridden thus
solids
{
C
{
rho 2010;
Cp 710;
kappa 0.04;
Hf 0;
emissivity 1.0;
}
ash;
}
The defaultCoeffs entry is now redundant and supported only for backward
compatibility. To specify a liquid with default coefficients simply leave the
coefficients dictionary empty:
liquids
{
H2O {}
}
Any or all of the coefficients may be overridden by specifying the properties in
the coefficients dictionary, e.g.
liquids
{
H2O
{
rho
{
a 1000;
b 0;
c 0;
d 0;
}
}
}
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.
For multi-region cases the default location of blockMeshDict is now system/<region name>
If the blockMeshDict is not found in system then the constant directory
is also checked providing backward-compatibility
The old separate incompressible and compressible libraries have been removed.
Most of the commonly used RANS and LES models have been upgraded to the
new framework but there are a few missing which will be added over the
next few days, in particular the realizable k-epsilon model. Some of
the less common incompressible RANS models have been introduced into the
new library instantiated for incompressible flow only. If they prove to
be generally useful they can be templated for compressible and
multiphase application.
The Spalart-Allmaras DDES and IDDES models have been thoroughly
debugged, removing serious errors concerning the use of S rather than
Omega.
The compressible instances of the models have been augmented by a simple
backward-compatible eddyDiffusivity model for thermal transport based on
alphat and alphaEff. This will be replaced with a separate run-time
selectable thermal transport model framework in a few weeks.
For simplicity and ease of maintenance and further development the
turbulent transport and wall modeling is based on nut/nuEff rather than
mut/muEff for compressible models so that all forms of turbulence models
can use the same wall-functions and other BCs.
All turbulence model selection made in the constant/turbulenceProperties
dictionary with RAS and LES as sub-dictionaries rather than in separate
files which added huge complexity for multiphase.
All tutorials have been updated so study the changes and update your own
cases by comparison with similar cases provided.
Sorry for the inconvenience in the break in backward-compatibility but
this update to the turbulence modeling is an essential step in the
future of OpenFOAM to allow more models to be added and maintained for a
wider range of cases and physics. Over the next weeks and months more
turbulence models will be added of single and multiphase flow, more
additional sub-models and further development and testing of existing
models. I hope this brings benefits to all OpenFOAM users.
Henry G. Weller
