including third-body and pressure dependent derivatives, and derivative of the
temperature term. The complete Jacobian is more robust than the incomplete and
partially approximate form used previously and improves the efficiency of the
stiff ODE solvers which rely on the Jacobian.
Reaction rate evaluation moved from the chemistryModel to specie library to
simplfy support for alternative reaction rate expressions and associated
Jacobian terms.
Temperature clipping included in the Reaction class. This is inactive by default
but for most cases it is advised to provide temperature limits (high and
low). These are provided in the foamChemistryFile with the keywords Thigh and
Tlow. When using chemkinToFoam these values are set to the limits of the Janaf
thermodynamic data. With the new Jacobian this temperature clipping has proved
very beneficial for stability and for some cases essential.
Improvement of the TDAC MRU list better integrated in add and grow functions.
To get the most out of this significant development it is important to re-tune
the ODE integration tolerances, in particular the absTol in the odeCoeffs
sub-dictionary of the chemistryProperties dictionary:
odeCoeffs
{
solver seulex;
absTol 1e-12;
relTol 0.01;
}
Typically absTol can now be set to 1e-8 and relTol to 0.1 except for ignition
time problems, and with theses settings the integration is still robust but for
many cases a lot faster than previously.
Code development and integration undertaken by
Francesco Contino
Henry G. Weller, CFD Direct
runApplication isn't needed for foamDictionary as it doesn't log
anything of consequence. Using runApplication leads to false unconfirmed
completion warnings in the test loop as foamDictionary does not generate
an end statement.
Now if a <field> file does not exist first the compressed <field>.gz file is
searched for and if that also does not exist the <field>.orig file is searched
for.
This simplifies case setup and run scripts as now setField for example can read
the <field>.orig file directly and generate the <field> file from it which is
then read by the solver. Additionally the cleanCase function used by
foamCleanCase and the Allclean scripts automatically removed <field> files if
there is a corresponding <field>.orig file. So now there is no need for the
Allrun scripts to copy <field>.orig files into <field> or for the Allclean
scripts to explicitly remove them.
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.
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.
XiEngineFoam is a premixed/partially-premixed combustion engine solver which
exclusively uses the Xi flamelet combustion model.
engineFoam is a general engine solver for inhomogeneous combustion with or
without spray supporting run-time selection of the chemistry-based combustion
model.
Standard crank-connecting rod and the new free-piston kinematics motion options
are provides, others can easily be added.
Contributed by Francesco Contino and Nicolas Bourgeois, BURN Research Group.
The new optional switch 'writeCyclicMatch' can be set to 'true' to enable the writing of
the cyclic match OBJ files; defaults to 'false'.
Patch contributed by Bruno Santos
Resolves patch request https://bugs.openfoam.org/view.php?id=2685
The calculation of the max and min limits are now only performed if required,
i.e. specified in fvSolution.
Also resolves bug-report https://bugs.openfoam.org/view.php?id=2566
except turbulence and lagrangian which will also be updated shortly.
For example in the nonNewtonianIcoFoam offsetCylinder tutorial the viscosity
model coefficients may be specified in the corresponding "<type>Coeffs"
sub-dictionary:
transportModel CrossPowerLaw;
CrossPowerLawCoeffs
{
nu0 [0 2 -1 0 0 0 0] 0.01;
nuInf [0 2 -1 0 0 0 0] 10;
m [0 0 1 0 0 0 0] 0.4;
n [0 0 0 0 0 0 0] 3;
}
BirdCarreauCoeffs
{
nu0 [0 2 -1 0 0 0 0] 1e-06;
nuInf [0 2 -1 0 0 0 0] 1e-06;
k [0 0 1 0 0 0 0] 0;
n [0 0 0 0 0 0 0] 1;
}
which allows a quick change between models, or using the simpler
transportModel CrossPowerLaw;
nu0 [0 2 -1 0 0 0 0] 0.01;
nuInf [0 2 -1 0 0 0 0] 10;
m [0 0 1 0 0 0 0] 0.4;
n [0 0 0 0 0 0 0] 3;
if quick switching between models is not required.
To support this more convenient parameter specification the inconsistent
specification of seedSampleSet in the streamLine and wallBoundedStreamLine
functionObjects had to be corrected from
// Seeding method.
seedSampleSet uniform; //cloud; //triSurfaceMeshPointSet;
uniformCoeffs
{
type uniform;
axis x; //distance;
// Note: tracks slightly offset so as not to be on a face
start (-1.001 -0.05 0.0011);
end (-1.001 -0.05 1.0011);
nPoints 20;
}
to the simpler
// Seeding method.
seedSampleSet
{
type uniform;
axis x; //distance;
// Note: tracks slightly offset so as not to be on a face
start (-1.001 -0.05 0.0011);
end (-1.001 -0.05 1.0011);
nPoints 20;
}
which also support the "<type>Coeffs" form
// Seeding method.
seedSampleSet
{
type uniform;
uniformCoeffs
{
axis x; //distance;
// Note: tracks slightly offset so as not to be on a face
start (-1.001 -0.05 0.0011);
end (-1.001 -0.05 1.0011);
nPoints 20;
}
}
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.
The standard naming convention for heat flux is "q" and this is used for the
conductive and convective heat fluxes is OpenFOAM. The use of "Qr" for
radiative heat flux is an anomaly which causes confusion, particularly for
boundary conditions in which "Q" is used to denote power in Watts. The name of
the radiative heat flux has now been corrected to "qr" and all models, boundary
conditions and tutorials updated.
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 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.
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;
}
Added the option '-subDict' to specify a sub-dictionary if multiple
replacement sets are present in the same file. This also provides
backward compatibility by setting '-subDict dictionaryReplacement'
