Description
Base-class for thermophysical properties of solids, liquids and gases
providing an interface compatible with the templated thermodynamics
packages.
liquidProperties, solidProperties and thermophysicalFunction libraries have been
combined with the new thermophysicalProperties class into a single
thermophysicalProperties library to simplify compilation and linkage of models,
libraries and applications dependent on these classes.
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.
Combined 'dQ()' and 'Sh()' into 'Qdot()' which returns the heat-release rate in
the normal units [kg/m/s3] and used as the heat release rate source term in
the energy equations, to set the field 'Qdot' in several combustion solvers
and for the evaluation of the local time-step when running LTS.
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.
Also added the new prghTotalHydrostaticPressure p_rgh BC which uses the
hydrostatic pressure field as the reference state for the far-field
which provides much more accurate entrainment is large open domains
typical of many fire simulations.
The hydrostatic field solution is controlled by the optional entries in
the fvSolution.PIMPLE dictionary, e.g.
hydrostaticInitialization yes;
nHydrostaticCorrectors 5;
and the solver must also be specified for the hydrostatic p_rgh field
ph_rgh e.g.
ph_rgh
{
$p_rgh;
}
Suitable boundary conditions for ph_rgh cannot always be derived from
those for p_rgh and so the ph_rgh is read to provide them.
To avoid accuracy issues with IO, restart and post-processing the p_rgh
and ph_rgh the option to specify a suitable reference pressure is
provided via the optional pRef file in the constant directory, e.g.
dimensions [1 -1 -2 0 0 0 0];
value 101325;
which is used in the relationship between p_rgh and p:
p = p_rgh + rho*gh + pRef;
Note that if pRef is specified all pressure BC specifications in the
p_rgh and ph_rgh files are relative to the reference to avoid round-off
errors.
For examples of suitable BCs for p_rgh and ph_rgh for a range of
fireFoam cases please study the tutorials in
tutorials/combustion/fireFoam/les which have all been updated.
Henry G. Weller
CFD Direct Ltd.
e.g. (fvc::interpolate(HbyA) & mesh.Sf()) -> fvc::flux(HbyA)
This removes the need to create an intermediate face-vector field when
computing fluxes which is more efficient, reduces the peak storage and
improved cache coherency in addition to providing a simpler and cleaner
API.
The boundary conditions of HbyA are now constrained by the new "constrainHbyA"
function which applies the velocity boundary values for patches for which the
velocity cannot be modified by assignment and pressure extrapolation is
not specified via the new
"fixedFluxExtrapolatedPressureFvPatchScalarField".
The new function "constrainPressure" sets the pressure gradient
appropriately for "fixedFluxPressureFvPatchScalarField" and
"fixedFluxExtrapolatedPressureFvPatchScalarField" boundary conditions to
ensure the evaluated flux corresponds to the known velocity values at
the boundary.
The "fixedFluxPressureFvPatchScalarField" boundary condition operates
exactly as before, ensuring the correct flux at fixed-flux boundaries by
compensating for the body forces (gravity in particular) with the
pressure gradient.
The new "fixedFluxExtrapolatedPressureFvPatchScalarField" boundary
condition may be used for cases with or without body-forces to set the
pressure gradient to compensate not only for the body-force but also the
extrapolated "HbyA" which provides a second-order boundary condition for
pressure. This is useful for a range a problems including impinging
flow, extrapolated inlet conditions with body-forces or for highly
viscous flows, pressure-induced separation etc. To test this boundary
condition at walls in the motorBike tutorial case set
lowerWall
{
type fixedFluxExtrapolatedPressure;
}
motorBikeGroup
{
type fixedFluxExtrapolatedPressure;
}
Currently the new extrapolated pressure boundary condition is supported
for all incompressible and sub-sonic compressible solvers except those
providing implicit and tensorial porosity support. The approach will be
extended to cover these solvers and options in the future.
Note: the extrapolated pressure boundary condition is experimental and
requires further testing to assess the range of applicability,
stability, accuracy etc.
Henry G. Weller
CFD Direct Ltd.
fvOptions are transferred to the database on construction using
fv::options::New which returns a reference. The same function can be
use for construction and lookup so that fvOptions are now entirely
demand-driven.
The abstract base-classes for fvOptions now reside in the finiteVolume
library simplifying compilation and linkage. The concrete
implementations of fvOptions are still in the single monolithic
fvOptions library but in the future this will be separated into smaller
libraries based on application area which may be linked at run-time in
the same manner as functionObjects.
fvOptions does not have the appropriate structure to support MRF as it
is based on option selection by user-specified fields whereas MRF MUST
be applied to all velocity fields in the particular solver. A
consequence of the particular design choices in fvOptions made it
difficult to support MRF for multiphase and it is easier to support
frame-related and field related options separately.
Currently the MRF functionality provided supports only rotations but
the structure will be generalized to support other frame motions
including linear acceleration, SRF rotation and 6DoF which will be
run-time selectable.
Allows the specification of a reference height, for example the height
of the free-surface in a VoF simulation, which reduces the range of p_rgh.
hRef is a uniformDimensionedScalarField specified via the constant/hRef
file, equivalent to the way in which g is specified, so that it can be
looked-up from the database. For example see the constant/hRef file in
the DTCHull LTSInterFoam and interDyMFoam cases.
The old separate incompressible and compressible libraries have been removed.
Most of the commonly used RANS and LES models have been upgraded to the
new framework but there are a few missing which will be added over the
next few days, in particular the realizable k-epsilon model. Some of
the less common incompressible RANS models have been introduced into the
new library instantiated for incompressible flow only. If they prove to
be generally useful they can be templated for compressible and
multiphase application.
The Spalart-Allmaras DDES and IDDES models have been thoroughly
debugged, removing serious errors concerning the use of S rather than
Omega.
The compressible instances of the models have been augmented by a simple
backward-compatible eddyDiffusivity model for thermal transport based on
alphat and alphaEff. This will be replaced with a separate run-time
selectable thermal transport model framework in a few weeks.
For simplicity and ease of maintenance and further development the
turbulent transport and wall modeling is based on nut/nuEff rather than
mut/muEff for compressible models so that all forms of turbulence models
can use the same wall-functions and other BCs.
All turbulence model selection made in the constant/turbulenceProperties
dictionary with RAS and LES as sub-dictionaries rather than in separate
files which added huge complexity for multiphase.
All tutorials have been updated so study the changes and update your own
cases by comparison with similar cases provided.
Sorry for the inconvenience in the break in backward-compatibility but
this update to the turbulence modeling is an essential step in the
future of OpenFOAM to allow more models to be added and maintained for a
wider range of cases and physics. Over the next weeks and months more
turbulence models will be added of single and multiphase flow, more
additional sub-models and further development and testing of existing
models. I hope this brings benefits to all OpenFOAM users.
Henry G. Weller
