The Qdot field has been removed from all reacting solvers, in favour of
computing on the fly whenever it is needed. It can still be generated
for post-processing purposes by means of the Qdot function object. This
change reduces code duplication and storage for all modified solvers.
The Qdot function object has been applied to a number of tutorials in
order to retain the existing output.
A fix to Qdot has also been applied for multi-phase cases.
Added headers to all reactions files to prevent warnings in paraview.
Added references for known mechanisms. Removed unused reaction and
thermophysical property files.
Now for transient simulations "Final" solver settings are required for ALL
equations providing consistency between the solution of velocity, energy,
composition and radiation properties.
However "Final" relaxation factors are no longer required for fields or
equations and if not present the standard value for the variable will be
applied. Given that relaxation factors other than 1 are rarely required for
transient runs and hence the same for all iterations including the final one
this approach provide simpler input while still providing the flexibility to
specify a different value for the final iteration if required. For steady cases
it is usual to execute just 1 outer iteration per time-step for which the
standard relaxation factors are appropriate, and if more than one iteration is
executed it is common to use the same factors for both. In the unlikely event
of requiring different relaxation factors for the final iteration this is still
possible to specify via the now optional "Final" specification.
to simplify reacting case setup.
Tutorials
tutorials/combustion/chemFoam/ic8h18_TDAC
tutorials/combustion/reactingFoam/RAS/SandiaD_LTS
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D_GRI_TDAC
updated to benefit from the new configuration files.
Patch contributed by Francesco Contino
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
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.
