used in conjunction with the new loadBalancing option in constant/chemistryProperties:
loadBalancing on;
which enables per-cell CPU time caching used by the loadBalancer to redistribute
the mesh. Currently this option is only provided for chemistry integration but
the implementation is general and in future options will be provided to balance
other local cell loads, in particular Lagrangian particles.
The loadBalancer in enabled by specifying a distributor entry in
constant/dynamicMeshDict, e.g.
distributor
{
type loadBalancer;
libs ("libfvMeshDistributors.so");
multiConstraint true;
// How often to redistribute
redistributionInterval 10;
// Maximum fractional cell distribution imbalance
// before rebalancing
maxImbalance 0.1;
}
with which the mesh is checked for more than 10% load-imbalance every 10
time-steps and redistributed using a multi-constraint method, i.e. separate CPU
load weights are provided for each of the loads, currently that is the chemistry
integration load and the CPU time taken for the rest of the simulation,
transport equations solution etc.
The fvMeshDistributors::loadBalancer uses the distributor specified in
system/decomposeParDict to redistribute the mesh based on the cell CPU loads,
e.g. to use the Zoltan RCB method specify:
distributor zoltan;
libs ("libzoltanDecomp.so");
zoltanCoeffs
{
lb_method rcb;
}
Unfortunately only a few available redistribution methods support
multi-constraints: Zoltan::RCB, MeTiS, parMeTiS and xtraPuLP, of these only
Zoltan::RCB is currently available in OpenFOAM. Load-balancing is possible
without using a multi-constraint method (i.e. using any of the other
decomposition methods provided with OpenFOAM and Zoltan) by summing the various
CPU loads which is selected by setting:
multiConstraint false;
but the load-balancing is likely to be a lot less effective with this option.
Due to the licencing issues with parMeTiS interfacing to xtraPuLP might be the
best option for further work on load-balancing in OpenFOAM, or MeTiS could be
used in parallel by first agglomerating the distribution graph on the master
processor and redistributing the result; this pseudo-parallel option is already
provided for the Scotch method.
To simplify maintenance and further development of chemistry solution the
standardChemistryModel and TDACChemistryModel have been merged into the single
chemistryModel class. Now the TDAC mechanism reduction and tabulation
components can be individually selected or set to "none" or the corresponding
entries in the chemistryProperties dictionary omitted to switch them off thus
reproducing the behaviour of the standardChemistryModel.
For example the following chemistryProperties includes TDAC:
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
reduction
{
tolerance 1e-4;
}
tabulation
{
tolerance 3e-3;
}
#include "reactionsGRI"
and to run without TDAC the following is sufficient:
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
#include "reactionsGRI"
or the "reduction" and "tabulation" entries can be disabled explicitly:
#includeEtc "caseDicts/solvers/chemistry/TDAC/chemistryProperties.cfg"
chemistryType
{
solver ode;
}
chemistry on;
initialChemicalTimeStep 1e-7;
odeCoeffs
{
solver seulex;
absTol 1e-8;
relTol 1e-1;
}
reduction
{
method none;
tolerance 1e-4;
}
tabulation
{
method none;
tolerance 3e-3;
}
#include "reactionsGRI"
Changed the laminar methane combustion cases to use the Wilke mixing rule for
the transport properties obtained from the Sutherland model but with coefficient
mixing for thermodynamic properties for efficient evaluation of reaction
equilibria.
This provides significantly more accurate results for laminar combustion,
producing a thinner flame and a 10K reduction in peak temperature.
to provide a single consistent code and user interface to the specification of
physical properties in both single-phase and multi-phase solvers. This redesign
simplifies usage and reduces code duplication in run-time selectable solver
options such as 'functionObjects' and 'fvModels'.
* physicalProperties
Single abstract base-class for all fluid and solid physical property classes.
Physical properties for a single fluid or solid within a region are now read
from the 'constant/<region>/physicalProperties' dictionary.
Physical properties for a phase fluid or solid within a region are now read
from the 'constant/<region>/physicalProperties.<phase>' dictionary.
This replaces the previous inconsistent naming convention of
'transportProperties' for incompressible solvers and
'thermophysicalProperties' for compressible solvers.
Backward-compatibility is provided by the solvers reading
'thermophysicalProperties' or 'transportProperties' if the
'physicalProperties' dictionary does not exist.
* phaseProperties
All multi-phase solvers (VoF and Euler-Euler) now read the list of phases and
interfacial models and coefficients from the
'constant/<region>/phaseProperties' dictionary.
Backward-compatibility is provided by the solvers reading
'thermophysicalProperties' or 'transportProperties' if the 'phaseProperties'
dictionary does not exist. For incompressible VoF solvers the
'transportProperties' is automatically upgraded to 'phaseProperties' and the
two 'physicalProperties.<phase>' dictionary for the phase properties.
* viscosity
Abstract base-class (interface) for all fluids.
Having a single interface for the viscosity of all types of fluids facilitated
a substantial simplification of the 'momentumTransport' library, avoiding the
need for a layer of templating and providing total consistency between
incompressible/compressible and single-phase/multi-phase laminar, RAS and LES
momentum transport models. This allows the generalised Newtonian viscosity
models to be used in the same form within laminar as well as RAS and LES
momentum transport closures in any solver. Strain-rate dependent viscosity
modelling is particularly useful with low-Reynolds number turbulence closures
for non-Newtonian fluids where the effect of bulk shear near the walls on the
viscosity is a dominant effect. Within this framework it would also be
possible to implement generalised Newtonian models dependent on turbulent as
well as mean strain-rate if suitable model formulations are available.
* visosityModel
Run-time selectable Newtonian viscosity model for incompressible fluids
providing the 'viscosity' interface for 'momentumTransport' models.
Currently a 'constant' Newtonian viscosity model is provided but the structure
supports more complex functions of time, space and fields registered to the
region database.
Strain-rate dependent non-Newtonian viscosity models have been removed from
this level and handled in a more general way within the 'momentumTransport'
library, see section 'viscosity' above.
The 'constant' viscosity model is selected in the 'physicalProperties'
dictionary by
viscosityModel constant;
which is equivalent to the previous entry in the 'transportProperties'
dictionary
transportModel Newtonian;
but backward-compatibility is provided for both the keyword and model
type.
* thermophysicalModels
To avoid propagating the unnecessary constructors from 'dictionary' into the
new 'physicalProperties' abstract base-class this entire structure has been
removed from the 'thermophysicalModels' library. The only use for this
constructor was in 'thermalBaffle' which now reads the 'physicalProperties'
dictionary from the baffle region directory which is far simpler and more
consistent and significantly reduces the amount of constructor code in the
'thermophysicalModels' library.
* compressibleInterFoam
The creation of the 'viscosity' interface for the 'momentumTransport' models
allows the complex 'twoPhaseMixtureThermo' derived from 'rhoThermo' to be
replaced with the much simpler 'compressibleTwoPhaseMixture' derived from the
'viscosity' interface, avoiding the myriad of unused thermodynamic functions
required by 'rhoThermo' to be defined for the mixture.
Same for 'compressibleMultiphaseMixture' in 'compressibleMultiphaseInterFoam'.
This is a significant improvement in code and input consistency, simplifying
maintenance and further development as well as enhancing usability.
Henry G. Weller
CFD Direct Ltd.
When using 'simple' or 'hierarchical' decomposition it is useful to slightly rotate a
coordinate-aligned block-mesh to improve the processor boundaries by avoiding
irregular cell distribution at those boundaries. The degree of slight rotation
is controlled by the 'delta' coefficient and a value of 0.001 is generally
suitable so to avoid unnecessary clutter in 'decomposeParDict' 'delta' now
defaults to this value.
The FOAM file format has not changed from version 2.0 in many years and so there
is no longer a need for the 'version' entry in the FoamFile header to be
required and to reduce unnecessary clutter it is now optional, defaulting to the
current file format 2.0.
and renamed defaultSpecie as its mass fraction is derived from the sum of the
mass fractions of all other species and it need not be inert but must be present
everywhere, e.g. N2 in air/fuel combustion which can be involved in the
production of NOx.
The previous name inertSpecie in thermophysicalProperties is supported for
backward compatibility.
Following the generalisation of the TurbulenceModels library to support
non-Newtonian laminar flow including visco-elasticity and extensible to other
form of non-Newtonian behaviour the name TurbulenceModels is misleading and does
not properly represent how general the OpenFOAM solvers now are. The
TurbulenceModels now provides an interface to momentum transport modelling in
general and the plan is to rename it MomentumTransportModels and in preparation
for this the turbulenceProperties dictionary has been renamed momentumTransport
to properly reflect its new more general purpose.
The old turbulenceProperties name is supported for backward-compatibility.
This part of the name is unnecessary, as it is clear from context that
the name refers to a reaction. The selector has been made backwards
compatible so that old names will still read successfuly.
Reaction names are now consistently camel-cased for readability. Most
names have not been affected because the reaction rate name is a proper
noun and is therefore already capitalised (e.g., Arrhenius, Janev,
Landau, etc ...). Reactions that have been affected are as follows.
Old name New name
irreversibleinfiniteReaction irreversibleInfiniteReaction
irreversiblepowerSeriesReaction irreversiblePowerSeriesReaction
irreversiblethirdBodyArrheniusReaction irreversibleThirdBodyArrheniusReaction
nonEquilibriumReversibleinfiniteReaction nonEquilibriumReversibleInfiniteReaction
nonEquilibriumReversiblethirdBodyArrheniusReaction nonEquilibriumReversibleThirdBodyArrheniusReaction
reversibleinfiniteReaction reversibleInfiniteReaction
reversiblepowerSeriesReaction reversiblePowerSeriesReaction
reversiblethirdBodyArrheniusReaction reversibleThirdBodyArrheniusReaction
irreversiblefluxLimitedLangmuirHinshelwoodReaction irreversibleFluxLimitedLangmuirHinshelwoodReaction
irreversiblesurfaceArrheniusReaction irreversibleSurfaceArrheniusReaction
reversiblesurfaceArrheniusReaction reversibleSurfaceArrheniusReaction
This allows much greater flexibility in the instantiation of reaction system
which may in general depend on fields other than the thermodynamic state. This
also simplifies mixture thermodynamics removing the need for the reactingMixture
and the instantiation of all the thermodynamic package combinations depending on
it.
which are now read directly from the thermophysicalProperties dictionary for
consistency with non-reacting mixture thermodynamics. The species thermo and
reactions lists can still be in separate files if convenient and included into
the thermophysicalProperties file using the standard dictionary #include.
This formalises the flexible and extensible OpenFOAM thermodynamics and reaction
format as the direct input to OpenFOAM solvers. The CHEMKIN format is still
supported by first converting to the OpenFOAM format using the chemkinToFoam
utility.
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.
