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.
Two boundary conditions for the modelling of semi-permeable baffles have
been added. These baffles are permeable to a number of species within
the flow, and are impermeable to others. The flux of a given species is
calculated as a constant multipled by the drop in mass fraction across
the baffle.
The species mass-fraction condition requires the transfer constant and
the name of the patch on the other side of the baffle:
boundaryField
{
// ...
membraneA
{
type semiPermeableBaffleMassFraction;
samplePatch membranePipe;
c 0.1;
value uniform 0;
}
membraneB
{
type semiPermeableBaffleMassFraction;
samplePatch membraneSleeve;
c 0.1;
value uniform 1;
}
}
If the value of c is omitted, or set to zero, then the patch is
considered impermeable to the species in question. The samplePatch entry
can also be omitted in this case.
The velocity condition does not require any special input:
boundaryField
{
// ...
membraneA
{
type semiPermeableBaffleVelocity;
value uniform (0 0 0);
}
membraneB
{
type semiPermeableBaffleVelocity;
value uniform (0 0 0);
}
}
These two boundary conditions must be used in conjunction, and the
mass-fraction condition must be applied to all species in the
simulation. The calculation will fail with an error message if either is
used in isolation.
A tutorial, combustion/reactingFoam/RAS/membrane, has been added which
demonstrates this transfer process.
This work was done with support from Stefan Lipp, at BASF.
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"
keeping chocked conditions of Mach number.
This BC can work in two modes, chocked or non-chocked. In the
chocked mode the Ma is an input. In the non-chocked mode
the Ma is calculated from model inputs.
Within decomposeParDict, it is now possible to specify a different
decomposition method, methods coefficients or number of subdomains
for each region individually.
The top-level numberOfSubdomains remains mandatory, since this
specifies the number of domains for the entire simulation.
The individual regions may use the same number or fewer domains.
Any optional method coefficients can be specified in a general
"coeffs" entry or a method-specific one, eg "metisCoeffs".
For multiLevel, only the method-specific "multiLevelCoeffs" dictionary
is used, and is also mandatory.
----
ENH: shortcut specification for multiLevel.
In addition to the longer dictionary form, it is also possible to
use a shorter notation for multiLevel decomposition when the same
decomposition method applies to each level.
- although this has been supported for many years, the tutorials
continued to use "convertToMeters" entry, which is specific to blockMesh.
The "scale" is more consistent with other dictionaries.
ENH:
- ignore "scale 0;" (treat as no scaling) for blockMeshDict,
consistent with use elsewhere.
- Use on/off vs longer compressed/uncompressed.
For consistency, replaced yes/no with on/off.
- Avoid the combination of binary/compressed,
which is disallowed and provokes a warning anyhow
NOTE: in Reaction.C constructors bool initReactionThermo is used by solidReaction where there is no
need of setting a lhs - rhs thermo type for each reaction. This is needed for mechanism with reversible reactions
Radiative heat transfer may now be added to any solver in which an energy
equation is solved at run-time rather than having to change the solver code.
For example, radiative heat transfer is now enabled in the SandiaD_LTS
reactingFoam tutorial by providing a constant/fvOptions file containing
radiation
{
type radiation;
libs ("libradiationModels.so");
}
and appropriate settings in the constant/radiationProperties file.
including support for TDAC and ISAT for efficient chemistry calculation.
Description
Eddy Dissipation Concept (EDC) turbulent combustion model.
This model considers that the reaction occurs in the regions of the flow
where the dissipation of turbulence kinetic energy takes place (fine
structures). The mass fraction of the fine structures and the mean residence
time are provided by an energy cascade model.
There are many versions and developments of the EDC model, 4 of which are
currently supported in this implementation: v1981, v1996, v2005 and
v2016. The model variant is selected using the optional \c version entry in
the \c EDCCoeffs dictionary, \eg
\verbatim
EDCCoeffs
{
version v2016;
}
\endverbatim
The default version is \c v2015 if the \c version entry is not specified.
Model versions and references:
\verbatim
Version v2005:
Cgamma = 2.1377
Ctau = 0.4083
kappa = gammaL^exp1 / (1 - gammaL^exp2),
where exp1 = 2, and exp2 = 2.
Magnussen, B. F. (2005, June).
The Eddy Dissipation Concept -
A Bridge Between Science and Technology.
In ECCOMAS thematic conference on computational combustion
(pp. 21-24).
Version v1981:
Changes coefficients exp1 = 3 and exp2 = 3
Magnussen, B. (1981, January).
On the structure of turbulence and a generalized
eddy dissipation concept for chemical reaction in turbulent flow.
In 19th Aerospace Sciences Meeting (p. 42).
Version v1996:
Changes coefficients exp1 = 2 and exp2 = 3
Gran, I. R., & Magnussen, B. F. (1996).
A numerical study of a bluff-body stabilized diffusion flame.
Part 2. Influence of combustion modeling and finite-rate chemistry.
Combustion Science and Technology, 119(1-6), 191-217.
Version v2016:
Use local constants computed from the turbulent Da and Re numbers.
Parente, A., Malik, M. R., Contino, F., Cuoci, A., & Dally, B. B.
(2016).
Extension of the Eddy Dissipation Concept for
turbulence/chemistry interactions to MILD combustion.
Fuel, 163, 98-111.
\endverbatim
Tutorials cases provided: reactingFoam/RAS/DLR_A_LTS, reactingFoam/RAS/SandiaD_LTS.
This codes was developed and contributed by
Zhiyi Li
Alessandro Parente
Francesco Contino
from BURN Research Group
and updated and tested for release by
Henry G. Weller
CFD Direct Ltd.
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.
New reactingFoam tutorial counterFlowFlame2DLTS_GRI_TDAC demonstrates this new
functionality.
Additionally the ISAT table growth algorithm has been further optimized
providing an overall speedup of between 15% and 38% for the tests run so far.
Updates to TDAC and ISAT provided by Francesco Contino.
Implementation updated and integrated into OpenFOAM-dev by
Henry G. Weller, CFD Direct Ltd with the help of Francesco Contino.
Original code providing all algorithms for chemistry reduction and
tabulation contributed by Francesco Contino, Tommaso Lucchini, Gianluca
D’Errico, Hervé Jeanmart, Nicolas Bourgeois and Stéphane Backaert.
using a run-time selectable preconditioner
References:
Van der Vorst, H. A. (1992).
Bi-CGSTAB: A fast and smoothly converging variant of Bi-CG
for the solution of nonsymmetric linear systems.
SIAM Journal on scientific and Statistical Computing, 13(2), 631-644.
Barrett, R., Berry, M. W., Chan, T. F., Demmel, J., Donato, J.,
Dongarra, J., Eijkhout, V., Pozo, R., Romine, C. & Van der Vorst, H.
(1994).
Templates for the solution of linear systems:
building blocks for iterative methods
(Vol. 43). Siam.
See also: https://en.wikipedia.org/wiki/Biconjugate_gradient_stabilized_method
Tests have shown that PBiCGStab with the DILU preconditioner is more
robust, reliable and shows faster convergence (~2x) than PBiCG with
DILU, in particular in parallel where PBiCG occasionally diverges.
This remarkable improvement over PBiCG prompted the update of all
tutorial cases currently using PBiCG to use PBiCGStab instead. If any
issues arise with this update please report on Mantis: http://bugs.openfoam.org
Provides efficient integration of complex laminar reaction chemistry,
combining the advantages of automatic dynamic specie and reaction
reduction with ISAT (in situ adaptive tabulation). The advantages grow
as the complexity of the chemistry increases.
References:
Contino, F., Jeanmart, H., Lucchini, T., & D’Errico, G. (2011).
Coupling of in situ adaptive tabulation and dynamic adaptive chemistry:
An effective method for solving combustion in engine simulations.
Proceedings of the Combustion Institute, 33(2), 3057-3064.
Contino, F., Lucchini, T., D'Errico, G., Duynslaegher, C.,
Dias, V., & Jeanmart, H. (2012).
Simulations of advanced combustion modes using detailed chemistry
combined with tabulation and mechanism reduction techniques.
SAE International Journal of Engines,
5(2012-01-0145), 185-196.
Contino, F., Foucher, F., Dagaut, P., Lucchini, T., D’Errico, G., &
Mounaïm-Rousselle, C. (2013).
Experimental and numerical analysis of nitric oxide effect on the
ignition of iso-octane in a single cylinder HCCI engine.
Combustion and Flame, 160(8), 1476-1483.
Contino, F., Masurier, J. B., Foucher, F., Lucchini, T., D’Errico, G., &
Dagaut, P. (2014).
CFD simulations using the TDAC method to model iso-octane combustion
for a large range of ozone seeding and temperature conditions
in a single cylinder HCCI engine.
Fuel, 137, 179-184.
Two tutorial cases are currently provided:
+ tutorials/combustion/chemFoam/ic8h18_TDAC
+ tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC
the first of which clearly demonstrates the advantage of dynamic
adaptive chemistry providing ~10x speedup,
the second demonstrates ISAT on the modest complex GRI mechanisms for
methane combustion, providing a speedup of ~4x.
More tutorials demonstrating TDAC on more complex mechanisms and cases
will be provided soon in addition to documentation for the operation and
settings of TDAC. Also further updates to the TDAC code to improve
consistency and integration with the rest of OpenFOAM and further
optimize operation can be expected.
Original code providing all algorithms for chemistry reduction and
tabulation contributed by Francesco Contino, Tommaso Lucchini, Gianluca
D’Errico, Hervé Jeanmart, Nicolas Bourgeois and Stéphane Backaert.
Implementation updated, optimized and integrated into OpenFOAM-dev by
Henry G. Weller, CFD Direct Ltd with the help of Francesco Contino.
The modes of operation are set by the dimensions of the pressure field
to which this boundary condition is applied, the \c psi entry and the value
of \c gamma:
\table
Mode | dimensions | psi | gamma
incompressible subsonic | p/rho | |
compressible subsonic | p | none |
compressible transonic | p | psi | 1
compressible supersonic | p | psi | > 1
\endtable
For most applications the totalPressure boundary condition now only
requires p0 to be specified e.g.
outlet
{
type totalPressure;
p0 uniform 1e5;
}
In most boundary conditions, fvOptions etc. required and optional fields
to be looked-up from the objectRegistry are selected by setting the
keyword corresponding to the standard field name in the BC etc. to the
appropriate name in the objectRegistry. Usually a default is provided
with sets the field name to the keyword name, e.g. in the
totalPressureFvPatchScalarField the velocity is selected by setting the
keyword 'U' to the appropriate name which defaults to 'U':
Property | Description | Required | Default value
U | velocity field name | no | U
phi | flux field name | no | phi
.
.
.
However, in some BCs and functionObjects and many fvOptions another
convention is used in which the field name keyword is appended by 'Name'
e.g.
Property | Description | Required | Default value
pName | pressure field name | no | p
UName | velocity field name | no | U
This difference in convention is unnecessary and confusing, hinders code
and dictionary reuse and complicates code maintenance. In this commit
the appended 'Name' is removed from the field selection keywords
standardizing OpenFOAM on the first convention above.
Provides run-time selection of buoyancy sources for compressible solvers
Replaces the built-in buoyancy sources in XiFoam, reactingFoam and
rhoReactingFoam.
e.g. in constant/fvOptions specify
momentumSource
{
type buoyancyForce;
buoyancyForceCoeffs
{
fieldNames (U);
}
}
and optionally specify the buoyancy energy source in the enthalpy
equation:
energySource
{
type buoyancyEnergy;
buoyancyEnergyCoeffs
{
fieldNames (h);
}
}
or internal energy equation
energySource
{
type buoyancyEnergy;
buoyancyEnergyCoeffs
{
fieldNames (e);
}
}
