The new fvModels is a general interface to optional physical models in the
finite volume framework, providing sources to the governing conservation
equations, thus ensuring consistency and conservation. This structure is used
not only for simple sources and forces but also provides a general run-time
selection interface for more complex models such as radiation and film, in the
future this will be extended to Lagrangian, reaction, combustion etc. For such
complex models the 'correct()' function is provided to update the state of these
models at the beginning of the PIMPLE loop.
fvModels are specified in the optional constant/fvModels dictionary and
backward-compatibility with fvOption is provided by reading the
constant/fvOptions or system/fvOptions dictionary if present.
The new fvConstraints is a general interface to optional numerical constraints
applied to the matrices of the governing equations after construction and/or to
the resulting field after solution. This system allows arbitrary changes to
either the matrix or solution to ensure numerical or other constraints and hence
violates consistency with the governing equations and conservation but it often
useful to ensure numerical stability, particularly during the initial start-up
period of a run. Complex manipulations can be achieved with fvConstraints, for
example 'meanVelocityForce' used to maintain a specified mean velocity in a
cyclic channel by manipulating the momentum matrix and the velocity solution.
fvConstraints are specified in the optional system/fvConstraints dictionary and
backward-compatibility with fvOption is provided by reading the
constant/fvOptions or system/fvOptions dictionary if present.
The separation of fvOptions into fvModels and fvConstraints provides a rational
and consistent separation between physical and numerical models which is easier
to understand and reason about, avoids the confusing issue of location of the
controlling dictionary file, improves maintainability and easier to extend to
handle current and future requirements for optional complex physical models and
numerical constraints.
This simplifies and standardises the handling of radiation in all solvers which
include an energy equation, all of which now support radiation via the
'radiation' fvOption which is selected in the constant/fvOption or
constant/<region>/fvOption file:
radiation
{
type radiation;
libs ("libradiationModels.so");
}
The radiation model, parameters, settings and sub-models are specified in the
'radiationProperties' file as before.
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.
The standard set of Lagrangian clouds are now selectable at run-time.
This means that a solver that supports Lagrangian modelling can now use
any type of cloud (with some restrictions). Previously, solvers were
hard-coded to use specific cloud modelling. In addition, a cloud-list
structure has been added so that solvers may select multiple clouds,
rather than just one.
The new system is controlled as follows:
- If only a single cloud is required, then the settings for the
Lagrangian modelling should be placed in a constant/cloudProperties
file.
- If multiple clouds are required, then a constant/clouds file should be
created containing a list of cloud names defined by the user. Each
named cloud then reads settings from a corresponding
constant/<cloudName>Properties file. Clouds are evolved sequentially
in the order in which they are listed in the constant/clouds file.
- If no clouds are required, then the constant/cloudProperties file and
constant/clouds file should be omitted.
The constant/cloudProperties or constant/<cloudName>Properties files are
the same as previous cloud properties files; e.g.,
constant/kinematicCloudProperties or constant/reactingCloud1Properties,
except that they now also require an additional top-level "type" entry
to select which type of cloud is to be used. The available options for
this entry are:
type cloud; // A basic cloud of solid
// particles. Includes forces,
// patch interaction, injection,
// dispersion and stochastic
// collisions. Same as the cloud
// previously used by
// rhoParticleFoam
// (uncoupledKinematicParticleFoam)
type collidingCloud; // As "cloud" but with resolved
// collision modelling. Same as the
// cloud previously used by DPMFoam
// and particleFoam
// (icoUncoupledKinematicParticleFoam)
type MPPICCloud; // As "cloud" but with MPPIC
// collision modelling. Same as the
// cloud previously used by
// MPPICFoam.
type thermoCloud; // As "cloud" but with
// thermodynamic modelling and heat
// transfer with the carrier phase.
// Same as the limestone cloud
// previously used by
// coalChemistryFoam.
type reactingCloud; // As "thermoCloud" but with phase
// change and mass transfer
// coupling with the carrier
// phase. Same as the cloud
// previously used in fireFoam.
type reactingMultiphaseCloud; // As "reactingCloud" but with
// particles that contain multiple
// phases. Same as the clouds
// previously used in
// reactingParcelFoam and
// simpleReactingParcelFoam and the
// coal cloud used in
// coalChemistryFoam.
type sprayCloud; // As "reactingCloud" but with
// additional spray-specific
// collision and breakup modelling.
// Same as the cloud previously
// used in sprayFoam and
// engineFoam.
The first three clouds are not thermally coupled, so are available in
all Lagrangian solvers. The last four are thermally coupled and require
access to the carrier thermodynamic model, so are only available in
compressible Lagrangian solvers.
This change has reduced the number of solvers necessary to provide the
same functionality; solvers that previously differed only in their
Lagrangian modelling can now be combined. The Lagrangian solvers have
therefore been consolidated with consistent naming as follows.
denseParticleFoam: Replaces DPMFoam and MPPICFoam
reactingParticleFoam: Replaces sprayFoam and coalChemistryFoam
simpleReactingParticleFoam: Replaces simpleReactingParcelFoam
buoyantReactingParticleFoam: Replaces reactingParcelFoam
fireFoam and engineFoam remain, although fireFoam is likely to be merged
into buoyantReactingParticleFoam in the future once the additional
functionality it provides is generalised.
Some additional minor functionality has also been added to certain
solvers:
- denseParticleFoam has a "cloudForceSplit" control which can be set in
system/fvOptions.PIMPLE. This provides three methods for handling the
cloud momentum coupling, each of which have different trade-off-s
regarding numerical artefacts in the velocity field. See
denseParticleFoam.C for more information, and also bug report #3385.
- reactingParticleFoam and buoyantReactingParticleFoam now support
moving mesh in order to permit sharing parts of their implementation
with engineFoam.
All models that require templating on the thermodynamic model, including
the thermodynamic models themselves, are now instantiated using a
centralised set of variadic macros. Seven macros exist to instantiate
models for different classes of thermodynamics model. These are:
forGases: All model combinations valid for gases
forCommonGases: The most commonly used gas models
forAbsoluteGases: A limited selection of gas models with absolute
forms of energy, for use with Xi-combustion models
forLiquids: All model combinations valid for liquids
forCommonLiquids: The most commonly used liquid models
forPolynomials: Model combinations with properties fitted to
polynomials
forSolids: All model combinations valid for solids
All the *ThermoPhysics typedefs have been removed, as this system was
fundamentally not extensible. The enormous lists of thermodynamic
instantiations that existed for reaction thermos, chemistry models,
tabulation methods, etc..., were extremely difficult to read and reason
about what combinations are valid under what circumstances. This change
centralises those decisions, makes them concise and readable, and makes
them consistent across the entire codebase.
Soot model selection has now been brought up to date in line with
chemistry, combustion, and others. The angle-bracketed part of the name
is no longer necessary; this information is determined directly from the
existing thermo model. So, now to select a mixture-fraction soot model,
the entry is simply:
sootModel mixtureFraction;
Rather than:
sootModel mixtureFraction<rhoReactionThermo,gasHThermoPhysics>;
The only place in which *ThermoPhysics typedefs are still required in
the selection name is in the thermalBaffle1D boundary condition. Here
there is no thermo model from which to determine a name. This eventually
needs resolving either by adding a selection mechanism similar to that
of the thermo packages themselves, or by removing this boundary
condition in favour of the (non-1D) thermal baffle boundary condition
and region model.
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.
renaming the legacy keywords
RASModel -> model
LESModel -> model
laminarModel -> model
which is simpler and clear within the context in which they are specified, e.g.
RAS
{
model kOmegaSST;
turbulence on;
printCoeffs on;
}
rather than
RAS
{
RASModel kOmegaSST;
turbulence on;
printCoeffs on;
}
The old keywords are 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
solidChemistryModel is not implemented in a general way but specialised to form
the basis of the highly specific pyrolysis mode. The handling of reactions is
hard-coded for forward reactions only, the Jacobian was present but incomplete
so any ODE solvers requiring the Jacobian would either fail, diverge or produce
incorrect results. It is not clear if many or any parts of the
solidChemistryModel are correct, in particular there is no handling for the
solid surface area per unit volume. After a lot of refactoring work it has
become clear that solidChemistryModel needs a complete rewrite and can benefit
from all the recent development work done on the now more general
StandardChemistryModel.
kappa is now obtained from the fluidThermo for laminar regions, the turbulence
model for turbulent regions and the solidThermo for solid regions. The "lookup"
option previously supported allowed for energy-temperature inconsistent and
incorrect specification of kappa and was not used. Without this incorrect
option there is now no need to specify a kappaMethod thus significantly
simplifying the use boundary conditions derived from temperatureCoupledBase.
Now that the reaction system is separated from the mixture thermodynamics it is
possible to rationalise singleStepCombustion so that it instantiates a single
reaction as it should. This simplifies the code, maintenance and the user
interface not that the combustionProperties file contains a single reaction
rather than a list.
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 radiation modelling library has been moved out of
thermophysicalProperties into the top-level source directory. Radiation
is a process, not a property, and belongs alongside turbulence,
combustion, etc...
The namespaces used within the radiation library have been made
consistent with the rest of the code. Selectable sub-models are in
namespaces named after their base classes. Some models have been
renamed remove the base type from the suffix, as this is unnecessary.
These renames are:
Old name: New name:
binaryAbsorptionEmission binary
cloudAbsorptionEmission cloud
constantAbsorptionEmission constant
greyMeanAbsorptionEmission greyMean/greyMeanCombustion
greyMeanSolidAbsorptionEmission greyMeanSolid
wideBandAbsorptionEmission wideBand/wideBandCombustion
cloudScatter cloud
constantScatter constant
mixtureFractionSoot mixtureFraction
Some absorption-emission models have been split into versions which do
and don't use the heat release rate. The version that does has been
given the post-fix "Combustion" and has been moved into the
combustionModels library. This removes the dependence on a registered
Qdot field, and makes the models compatible with the recent removal of
that field from the combustion solvers.
This allows coefficients of the constantAbsorptionEmission and
constantScatter to be entered as pure numbers, with the name and
dimensions set automatically, rather than having to specify them
manually.
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.
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 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 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.
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.
