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.
All reactingEulerFoam wall boiling tutorials have been replaced with
cases that are more representative of real applications.
The wall boiling tutorials for reactingTwoPhaseEulerFoam are:
RAS/wallBoiling:
Axi-symmetric wall boiling case with constant bubble diameter
RAS/wallBoilingPolyDisperse:
As wallBoiling, but with a homogenous class method population
balance for modelling the bubble diameters
RAS/wallBoilingIATE:
As wallBoiling, but with an interfacial area transport equation
for modelling the bubble diameters
The wall boiling tutorials for reactingMultiphaseEulerFoam are:
RAS/wallBoilingPolydisperseTwoGroups:
As wallBoiling, but with an inhomogenous class method population
balance for modelling the bubble diameters
Patch contributed by Juho Peltola, VTT.
Added new reaction rate fluxLimitedLangmuirHinshelwoodReactionRate which is a
variant of the standard LangmuirHinshelwoodReactionRate but with a surface flux
limiter dependent on the surface area per unit volume Av which can be supplied
either as a uniform value or a field name which is looked-up from the region
database (objectRegistry).
Description
Langmuir-Hinshelwood reaction rate for gaseous reactions on surfaces
including the optional flux limiter of Waletzko and Schmidt.
References:
\verbatim
Hinshelwood, C.N. (1940).
The Kinetics of Chemical Change.
Oxford Clarendon Press
Waletzko, N., & Schmidt, L. D. (1988).
Modeling catalytic gauze reactors: HCN synthesis.
AIChE journal, 34(7), 1146-1156.
\endverbatim
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.
Added limiters for the phase temperatures to prevent divergence, and
monitors to report the minimum and maximum values. Removed the
setTimeStep functionObject as the temperature limiters make this
unnecessary. Dereased the number of energy correctors and set a higher
Courant number limit to reduce the execution-time of the case.
Patch contributed by Juho Peltola, VTT.
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)
A number of improvements have been made to the population balance phase
change drift model.
- The model now checks the ordering of the phase pairs and changes the
sign of the drift rate accordingly.
- The phase change mass flux and weights are calculated for each
velocity group, so the drift rate and phase change mass flux should be
consistent for each velocity group.
- By default the phase change mass flux is distributed between the size
groups based on the interfacial area of each group. For backward
compatibility number weighting can be enabled with a new
"numberWeighted" option.
The model now requires the user to provide a list of phase pairs in the
usual parenthesised form, rather than using the name. For example:
phaseChange
{
pairs ((gas and liquid));
}
Patch contributed by Juho Peltola, VTT.
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.
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 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.
The LBend was set to run for 2 s, but at about 1.95 s the packed region
builds up to the inlet and the simulation diverges. The end time has
been reduced to 1.9 s so that this does not occur.
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 nonRandomTwoLiquid and Roult interface composition models have been
instantiated (and updated so that they compile), and a fuller set of
multi-component liquids and multi-component and reacting gases have been
used.
The selection name of the saturated and nonRandomTwoLiquid models have
also been changed to remove the capitalisation from the first letter, as
is consistent with other sub-models that are not proper nouns.
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
Sub-model blending should be set such that the sum of all the blending
coefficients equals one. If there are three models specified for a phase
pair (e.g., (air in water), (water in air) and (air and water)), then
the sum-to-one constraint is guaranteed by the blending functions.
Frequently, however, the symmetric model ((air and water) in this
example) is omitted. In that case, the blending coefficients should be
selected so that the sum of just the two non-symmetric coefficients
equal one.
In the case of linear blending, this means setting the minimum partially
continuous alpha to one-minus the fully continuous value of the opposite
phase. For example:
blending
{
default
{
type linear;
minFullyContinuousAlpha.air 0.7;
minPartlyContinuousAlpha.air 0.3;
minFullyContinuousAlpha.water 0.7;
minPartlyContinuousAlpha.water 0.3;
}
}
The reactingTwoPhaseEulerFoam and reactingMultiPhaseEulerFoam tutorials
have been modified to adhere to this principle.
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 change means that getApplication still works if we have a
controlDict.orig, rather than a controlDict. This allows us to simplify
the scripting of tutorials in which the controlDict is modified.
Some tutorials have had Allrun scripts added in order to run setFields,
which was previously omitted. Others have had nonuniform field files in
the 0 directory replaced by uniform files with .orig extensions.
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.
Introduced thermalPhaseChangePopulationBalanceTwo- and MultiphaseSystem as
user-selectable phaseSystems which are the first to actually use multiple mass
transfer mechanisms enabled by
commit d3a237f560.
The functionality is demonstrated using the reactingTwoPhaseEulerFoam
wallBoilingPolydisperse tutorial.
Patch contributed by VTT Technical Research Centre of Finland Ltd and Institute
of Fluid Dynamics, Helmholtz-Zentrum Dresden - Rossendorf (HZDR).
Using the noSlip boundary condition for rotating wall in an MRF region
interferes with post-processing by resetting the wall velocity to 0 rather than
preserving the value set by the MRF zone.
Removed possibility for the user to specify a driftRate in the constantDrift
model which is independent of a fvOptions mass source. The driftRate must be
calculated from/be consistent with the mass source in order to yield a particle
number conserving result.
Made calculation of the over-all Sauter mean diameter of an entire population
balance conditional on more than one velocityGroup being present. This diameter
field is for post-processing purposes only and would be redundant in case of one
velocityGroup being used.
Solution control is extended to allow for solution of the population balance
equation at the last PIMPLE loop only, using an optional switch. This can be
beneficial in terms of simulation time as well as coupling between the
population balance based diameter calculation and the rest of the equation
system.
Patch contributed by Institute of Fluid Dynamics, Helmholtz-Zentrum Dresden - Rossendorf
(HZDR) and VTT Technical Research Centre of Finland Ltd.
