The handling of species transfer within the interface-composition phase
change system has been sigificantly altered. The explicit-implicit
caching of the mass transfer has been removed and been replaced with
storage of an Su-Sp coefficient pair. The mass transfer is now generated
on the fly from these coefficients.
These fixes resolve a number of issues involving multiple species for
which the pimple loop did not converge to a conservative solution. It
also removes the requirement for a second evaluation of the mass
transfer after solution of the species fraction equations.
This work was supported by Zhen Li, at Evonik
This fixes a consistency issue in the interface-composition method, and
also seems to improve stability/convergence of the pimple iteration in
the presence of significant mass transfer.
Two new phase models have been added as selectable options for
reactingMultiphaseEulerFoam; pureStationaryPhaseModel and
pureStationaryIsothermalPhaseModel. These phases do not store a
velocity and their phase fractions remain constant throughout the
simulation. They are intended for use in modelling static particle beds
and other forms of porous media by means of the existing Euler-Euler
transfer models (drag, heat transfer, etc...).
Note that this functionality has not been extended to
reactingTwoPhaseEulerFoam, or the non-reacting *EulerFoam solvers.
Additional maintenance work has been carried out on the phase model
and phase system structure. The system can now loop over subsets of
phases with specific functionality (moving, multi-component, etc...) in
order to avoid testing for the existence of equations or variables in
the top level solver. The mass transfer handling and it's effect on
per-phase source terms has been refactored to reduce duplication. Const
and non-const access to phase properties has been formalised by renaming
non-const accessors with a "Ref" suffix, which is consistent with other
recent developments to classes including tmp and GeometricField, among
others. More sub-modelling details have been made private in order to
reduce the size of interfaces and improve abstraction.
This work was supported by Zhen Li, at Evonik
Partial elimination has been implemented for the multiphase Euler-Euler
solver. This does a linear solution of the drag system when calculating
flux and velocity corrections after the solution of the pressure
equation. This can improve the behaviour of the solution in the event
that the drag coupling is high. It is controlled by means of a
"partialElimination" switch within the PIMPLE control dictionary in
fvSolution.
A re-organisation has also been done in order to remove the exposure of
the sub-modelling from the top-level solver. Rather than looping the
drag, virtual mass, lift, etc..., models directly, the solver now calls
a set of phase-system methods which group the different force terms.
These new methods are documented in MomentumTransferPhaseSystem.H. Many
other accessors have been removed as a consequence of this grouping.
A bug was also fixed whereby the face-based algorithm was not
transferring the momentum associated with a given interfacial mass
transfer.
This patch enables the reactingEulerFoam solvers to simulate polydisperse flow
situations, i.e. flows where the disperse phase is subject to a size
distribution.
The newly added populationBalanceModel class solves the integro-partial
differential population balance equation (PBE) by means of a class method, also
called discrete or sectional method. This approach is based on discretizing the
PBE over its internal coordinate, the particle volume. This yields a set of
transport equations for the number concentration of particles in classes with a
different representative size. These are coupled through their source-terms and
solved in a segregated manner. The implementation is done in a way, that the
total particle number and mass is preserved for coalescence, breakup and drift
(i.e. isothermal growth or phase change) processes, irrespective of the chosen
discretization over the internal coordinate.
A population balance can be split over multiple velocity (temperature) fields,
using the capability of reactingMultiphaseEulerFoam to solve for n momentum
(energy) equations. To a certain degree, this takes into account the dependency
of heat- and momentum transfer on the disperse phase diameter. It is also possible
to define multiple population balances, e.g. bubbles and droplets simultaneously.
The functionality can be switched on by choosing the appropriate phaseSystem
type, e.g. populationBalanceMultiphaseSystem and the newly added diameterModel
class called velocityGroup. To illustrate the use of the functionality, a
bubbleColumnPolydisperse tutorial was added for reactingTwoPhaseEulerFoam and
reactingMultiphaseEulerFoam.
Furthermore, a reactingEulerFoam-specific functionObject called sizeDistribution
was added to allow post-Processing of the size distribution, e.g. to obtain the
number density function in a specific region.
Patch contributed by Institute of Fluid Dynamics, Helmholtz-Zentrum Dresden - Rossendorf
(HZDR) and VTT Technical Research Centre of Finland Ltd.
Wrapped combustion model make macros in the Foam namespace and removed
combustion model namespace from the base classes. This fixes a namespace
specialisation bug in gcc 4.8. It is also somewhat less verbose in the
solvers.
This resolves bug report https://bugs.openfoam.org/view.php?id=2787
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.
The combustion and chemistry models no longer select and own the
thermodynamic model; they hold a reference instead. The construction of
the combustion and chemistry models has been changed to require a
reference to the thermodyanmics, rather than the mesh and a phase name.
At the solver-level the thermo, turbulence and combustion models are now
selected in sequence. The cyclic dependency between the three models has
been resolved, and the raw-pointer based post-construction step for the
combustion model has been removed.
The old solver-level construction sequence (typically in createFields.H)
was as follows:
autoPtr<combustionModels::psiCombustionModel> combustion
(
combustionModels::psiCombustionModel::New(mesh)
);
psiReactionThermo& thermo = combustion->thermo();
// Create rho, U, phi, etc...
autoPtr<compressible::turbulenceModel> turbulence
(
compressible::turbulenceModel::New(rho, U, phi, thermo)
);
combustion->setTurbulence(*turbulence);
The new sequence is:
autoPtr<psiReactionThermo> thermo(psiReactionThermo::New(mesh));
// Create rho, U, phi, etc...
autoPtr<compressible::turbulenceModel> turbulence
(
compressible::turbulenceModel::New(rho, U, phi, *thermo)
);
autoPtr<combustionModels::psiCombustionModel> combustion
(
combustionModels::psiCombustionModel::New(*thermo, *turbulence)
);
When an OpenFOAM simulation runs in parallel, the data for decomposed fields and
mesh(es) has historically been stored in multiple files within separate
directories for each processor. Processor directories are named 'processorN',
where N is the processor number.
This commit introduces an alternative "collated" file format where the data for
each decomposed field (and mesh) is collated into a single file, which is
written and read on the master processor. The files are stored in a single
directory named 'processors'.
The new format produces significantly fewer files - one per field, instead of N
per field. For large parallel cases, this avoids the restriction on the number
of open files imposed by the operating system limits.
The file writing can be threaded allowing the simulation to continue running
while the data is being written to file. NFS (Network File System) is not
needed when using the the collated format and additionally, there is an option
to run without NFS with the original uncollated approach, known as
"masterUncollated".
The controls for the file handling are in the OptimisationSwitches of
etc/controlDict:
OptimisationSwitches
{
...
//- Parallel IO file handler
// uncollated (default), collated or masterUncollated
fileHandler uncollated;
//- collated: thread buffer size for queued file writes.
// If set to 0 or not sufficient for the file size threading is not used.
// Default: 2e9
maxThreadFileBufferSize 2e9;
//- masterUncollated: non-blocking buffer size.
// If the file exceeds this buffer size scheduled transfer is used.
// Default: 2e9
maxMasterFileBufferSize 2e9;
}
When using the collated file handling, memory is allocated for the data in the
thread. maxThreadFileBufferSize sets the maximum size of memory in bytes that
is allocated. If the data exceeds this size, the write does not use threading.
When using the masterUncollated file handling, non-blocking MPI communication
requires a sufficiently large memory buffer on the master node.
maxMasterFileBufferSize sets the maximum size in bytes of the buffer. If the
data exceeds this size, the system uses scheduled communication.
The installation defaults for the fileHandler choice, maxThreadFileBufferSize
and maxMasterFileBufferSize (set in etc/controlDict) can be over-ridden within
the case controlDict file, like other parameters. Additionally the fileHandler
can be set by:
- the "-fileHandler" command line argument;
- a FOAM_FILEHANDLER environment variable.
A foamFormatConvert utility allows users to convert files between the collated
and uncollated formats, e.g.
mpirun -np 2 foamFormatConvert -parallel -fileHandler uncollated
An example case demonstrating the file handling methods is provided in:
$FOAM_TUTORIALS/IO/fileHandling
The work was undertaken by Mattijs Janssens, in collaboration with Henry Weller.
Fixed reaction source terms in the energy and species fraction equations
by multiplying by the phase fraction.
Resolves bug report https://bugs.openfoam.org/view.php?id=2591
Avoids slight phase-fraction unboundedness at entertainment BCs and improved
robustness.
Additionally the phase-fractions in the multi-phase (rather than two-phase)
solvers are adjusted to avoid the slow growth of inconsistency ("drift") caused
by solving for all of the phase-fractions rather than deriving one from the
others.
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.
Added the interfacial pressure-work terms according to:
Ishii, M., Hibiki, T.,
Thermo-fluid dynamics of two-phase flow,
ISBN-10: 0-387-28321-8, 2006
While this is the most common approach to handling the interfacial
pressure-work it introduces numerical stability issues in regions of low
phase-fraction and rapid flow deformation. To alleviate this problem an
optional limiter may be applied to the pressure-work term in either of
the energy forms. This may specified in the
"thermophysicalProperties.<phase>" file, e.g.
pressureWorkAlphaLimit 1e-3;
which sets the pressure work term to 0 for phase-fractions below 1e-3.
For particularly unstable cases a limit of 1e-2 may be necessary.
In many publications and Euler-Euler codes the pressure-work term in the
total enthalpy is stated and implemented as -alpha*dp/dt rather than the
conservative form derived from the total internal energy equation
-d(alpha*p)/dt. In order for the enthalpy and internal energy equations
to be consistent this error/simplification propagates to the total
internal energy equation as a spurious additional term p*d(alpha)/dt
which is included in the OpenFOAM Euler-Euler solvers and causes
stability and conservation issues.
I have now re-derived the energy equations for multiphase flow from
first-principles and implemented in the reactingEulerFoam solvers the
correct conservative form of pressure-work in both the internal energy
and enthalpy equations.
Additionally an optional limiter may be applied to the pressure-work
term in either of the energy forms to avoid spurious fluctuations in the
phase temperature in regions where the phase-fraction -> 0. This may
specified in the "thermophysicalProperties.<phase>" file, e.g.
pressureWorkAlphaLimit 1e-3;
which sets the pressure work term to 0 for phase-fractions below 1e-3.
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.
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 deprecated non-const tmp functionality is now on the compiler switch
NON_CONST_TMP which can be enabled by adding -DNON_CONST_TMP to EXE_INC
in the Make/options file. However, it is recommended to upgrade all
code to the new safer tmp by using the '.ref()' member function rather
than the non-const '()' dereference operator when non-const access to
the temporary object is required.
Please report any problems on Mantis.
Henry G. Weller
CFD Direct.
To be used instead of zeroGradientFvPatchField for temporary fields for
which zero-gradient extrapolation is use to evaluate the boundary field
but avoiding fields derived from temporary field using field algebra
inheriting the zeroGradient boundary condition by the reuse of the
temporary field storage.
zeroGradientFvPatchField should not be used as the default patch field
for any temporary fields and should be avoided for non-temporary fields
except where it is clearly appropriate;
extrapolatedCalculatedFvPatchField and calculatedFvPatchField are
generally more suitable defaults depending on the manner in which the
boundary values are specified or evaluated.
The entire OpenFOAM-dev code-base has been updated following the above
recommendations.
Henry G. Weller
CFD Direct
to allow the turbulent energy transport properties to be updated for
every energy solution if required.
Added correctEnergyTransport() call to reactingTwoPhaseEulerFoam
