This change extends phaseTransferModel and PhaseTransferPhaseSystem to
allow non-uniform specie transfer between phases.
A reactionDriven phaseTransfer model is added which represents change of
selected species from one phase to another due to a reaction occurring
within one of the phases.
Following the change, the reactionDriven nucleation models and the
phaseChange drift models in populationBalanceModel have been updated to
use the new functionality in PhaseTransferPhaseSystem. The
PopulationBalancePhaseSystem has been simplified significantly as a
result.
The functionality is demonstrated by a tutorial case simulating the
vapour phase synthesis of titania by titanium tetrachloride oxidation
where both nucleation and surface reactions models are active at the
same time.
Patch contributed by VTT Technical Research Centre of Finland Ltd and
Institute of Fluid Dynamics, Helmholtz-Zentrum Dresden - Rossendorf (HZDR).
Interface composition models are now specified in
constant/phaseProperties like so:
interfaceComposition.gas
(
(gas and water)
{
// ...
}
(gas and oil)
{
// ...
}
);
interfaceComposition.water
(
(water and gas)
{
// ...
}
// ...
);
// ...
I.e., the models associated with diffusive transfer within a phase
"<phase>" are specified in the list "interfaceComposition.<phase>".
Within the list, models are specified in unordered phase pairs
corresponding to the interface.
This replaces a system where models were specified in a single
interfaceComposition list, with the ordered pair entry "(<phase1> in
<phase2>)" meaning transfer within phase1 at the interface with phase2.
This ordered pair syntax is otherwise used for distinguishing between
continuous and dispersed phases. This dual meaning was considered
counter-intuitive. The new entries also more closely resemble the
associated two-resistance heat and mass transfer model specifications.
There are now many types of mass transfer, so massTransfer is now too
generic a term for what these models do. These models generate a
diffusivity which when multiplied by a concentration difference results
in mass transfer, hence the new name.
This change is not backwards compatible. Cases running the interface
composition system will need "massTransfer" entries renamed to
"diffusiveMassTransfer".
This change adds representation of the shape of a dispersed phase. A
layer has been added to model the relationship between the
characteristic volume of a sizeGroup and its physical diameter.
Previously this relationship was represented by a constant form factor.
Currently, two shape models are available:
- spherical
- fractal (for modelling fractal agglomerates)
The latter introduces the average surface area to volume ratio, kappa,
of the entities in a size group as a secondary field-dependent internal
variable to the population balance equation, which makes the population
balance approach "quasi-"bivariate. From kappa and a constant mass
fractal dimension, a collisional diameter can be derived which affects
the coagulation rates computed by the following models:
- ballisticCollisions
- brownianCollisions
- DahnekeInterpolation
- turbulentShear
The fractal shape modelling also takes into account the effect of sintering
of primary particles on the surface area of the aggregate.
Further additions/changes:
- Time scale filtering for handling large drag and heat transfer
coefficients occurring for particles in the nanometre range
- Aerosol drag model based on Stokes drag with a Knudsen number based
correction (Cunningham correction)
- Reaction driven nucleation
- A complete redesign of the sizeDistribution functionObject
The functionality is demonstrated by a tutorial case simulating the
vapour phase synthesis of titania by titanium tetrachloride oxidation.
Patch contributed by Institute of Fluid Dynamics, Helmholtz-Zentrum Dresden -
Rossendorf (HZDR) and VTT Technical Research Centre of Finland Ltd.
Refactored the function for scaling the size group volume fractions to
better handle situations in which their sum drifts away from unity.
Scaling is now turned on by default, and can be turned off in the
solution dictionary for the population balance.
Additional revision and renaming of *Polydisperse tutorials
Patch contributed by Institute of Fluid Dynamics,
Helmholtz-Zentrum Dresden - Rossendorf (HZDR)
This fix also required a generalization of the corresponding base class,
which allows the user to specify the number of daughter particles per
breakup event separately.
Patch contributed by Institute of Fluid Dynamics,
Helmholtz-Zentrum Dresden - Rossendorf (HZDR)
The keyword which selects how the subset over which the function
operates is generated has been renamed to "selectionMode", to make it
more consistent with other parts of the OpenFOAM (e.g., fvOptions). It
can still take the value "all" or "cellZone". A cell zone is now
specified with a "cellZone", again for consistency.
Error messaging has also been overhauled.
Patch contributed by Institute of Fluid Dynamics,
Helmholtz-Zentrum Dresden - Rossendorf (HZDR)
to avoid the need to evaluate departure functions and simplify evaluation of the
temperature. In general it makes more sense to use and e/Cv based
thermodynamics when solving for internal energy rather than h/Cp and have
convert between the energy forms.
All related tutorials and test cases have also been updated.
Changed to using of UPtrList<Type> instead of List<*Type> for storing
reference to size and velocity groups, as this removes de-referencing
clutter. Fixed lookup of critical film thickness in PrinceBlanch
coalescence model. Added functionality calculating the overall diameter,
void fraction and void fraction weighted velocity for multiple velocity
groups.
Patch contributed by Institute of Fluid Dynamics, Helmholtz-Zentrum
Dresden - Rossendorf (HZDR)
Two single-cell test cases have been added for reactingTwoPhaseEulerFoam
with an interface composition phase system. These are droplet
evaporation cases; one single- and one multi-component. The cases run
for every possible inert specie, and check that the results between the
runs are broadly similar.
The multi-component case shows some unphysical changes at the start due
to non-convergence of the pimple iteration during the initial transient.
This can be mitigated by reducing the time-step.
fvcAverage and fvcReconstruct both do divisions or inverses of surface
summed fields. A single-cell zero-dimension case, has no genuine faces
on which to sum, so surface sums are identically zero. This change
detects this situation and returns a zero value instead of failing due
to a divide by zero.
This allows the multiphase test cases to be reduced to just one cell.
An additional layer has been added into the phase system hierarchy which
facilitates the application of phase transfer modelling. These are
models which exchange mass between phases without the thermal coupling
that would be required to represent phase change. They can be thought of
as representation changes; e.g., between two phases representing
different droplet sizes of the same physical fluid.
To facilitate this, the heat transfer phase systems have been modified
and renamed and now both support mass transfer. The two sided version
is only required for derivations which support phase change.
The following changes to case settings have been made:
- The simplest instantiated phase systems have been renamed to
basicTwoPhaseSystem and basicMultiphaseSystem. The
heatAndMomentumTransfer*System entries in constant/phaseProperties files
will need updating accordingly.
- A phaseTransfer sub-model entry will be required in the
constant/phaseProperties file. This can be an empty list.
- The massTransfer switch in thermal phase change cases has been renamed
phaseTransfer, so as not to be confused with the mass transfer models
used by interface composition cases.
This work was supported by Georg Skillas and Zhen Li, at Evonik
which simplifies the reactingEulerFoam populationBalance test cases.
Patch contributed by Institute of Fluid Dynamics, Helmholtz-Zentrum
Dresden - Rossendorf (HZDR)
The initial set of cases in the test directory are aimed at testing the
reactingEulerFoam populationBalance functionality.
Patch contributed by Institute of Fluid Dynamics, Helmholtz-Zentrum
Dresden - Rossendorf (HZDR) and VTT Technical Research Centre of Finland Ltd.
Integrated with the "tutorials" functionality by CFD Direct Ltd.
