The hRefConst and eRefConst thermos that were local to
reacting*EulerFoam have been removed and the reference state that they
used has been incorporated into the standard hConst and eConst thermos.
The hConst thermo model now evaluates the enthalpy like so:
Ha = Hf + Hs
= Hf + Cp*(T - Tref) + Hsref (+ equation of state terms)
Where Ha is absolute enthalpy, Hs is sensible enthalpy, Cp is specific
heat at constant pressure, T is temperature, Tref is a reference
temperature and Hsref is a reference sensible enthalpy. Hf, Cp, Tref and
Hsref are user inputs. Of these, Tref and Hsref are new. An example
specification is as follows:
thermodynamics
{
Hf -1.34229e+07;
Cp 2078.4;
Tref 372.76;
Hsref 128652;
}
The ref quantities allows the user to specify a state around which to
linearise the relationship between temperature and enthalpy. This is
useful if the temperature range of the simulation is small enough to
consider the relationship linear, but linearity does not hold all the
way to standard conditions.
To maintain backwards compatibility, Tref defaults to standard
temperature, and Hsref defaults to zero, so a case using hConst thermo
requires no modification as a result of this change.
The only change to the default operation is that to calculate sensible
enthalpy Cp is multiplied by the difference between the current
temperature and the standard temperature, whether as previously Cp was
multiplied by the current temperature only. This means that at standard
conditions sensible enthalpy is now zero, and absolute enthalpy equals
the formation enthalpy. This is more consistent with the definitions of
the various enthalpies, and with other thermo models such as janaf. This
change should only affect reacting cases that use constant thermo
models.
A number of file name patterns have been removed from the list of things
that cleanCase deletes. Some patterns related to obsolete files that
OpenFOAM no longer generates, and some were deemed too generic to
delete as they might contain important persistent information.
This case is an updated version of
tutorials/multiphase/multiphaseEulerFoam/damBreak4phase using the latest models
available in reactingMultiphaseEulerFoam for interface capturing.
In multiphase systems it is only necessary to solve for all but one of the
moving phases. The new referencePhase option allows the user to specify which
of the moving phases should not be solved, e.g. in constant/phaseProperties of the
tutorials/multiphase/reactingMultiphaseEulerFoam/RAS/fluidisedBed tutorial case with
phases (particles air);
referencePhase air;
the particles phase is solved for and the air phase fraction and fluxes obtained
from the particles phase which provides equivalent behaviour to
reactingTwoPhaseEulerFoam and is more efficient than solving for both phases.
e.g. in tutorials/incompressible/pisoFoam/LES/motorBike/motorBike/system/cuttingPlane
surfaceFormat vtk;
writeFormat binary;
fields (p U);
selects writing the VTK surface files in binary format which significantly
speeds-up reading of the files in paraview.
Currently binary writing is supported in VTK and EnSight formats.
The thermal phase system now operates with saturation models specified
per phase-pair, and can therefore represent multiple transfer processes
across different interfaces. There is no longer a "phaseChange" switch;
instead the selection of a saturation model for a given interface
enables phase change across that interface. This includes both
interfacial phase change and nucleate wall boiling.
Both interfacial phase change and wall boiling models now include
support for there being a single specified volatile component which
undergoes phase change.
A correction has been made to the phase change energy transfer when only
interfacial phase change is enabled.
The thermal phase change tutorials have all been updated to reflect
these changes in the user interface.
Patch contributed by Juho Peltola, VTT.
The kOmegaSSTSata model can now be used in multiphase cases, provided
that there is a single, well defined continuous phase. As previously,
the continuous phase is the phase for which the model is selected (i.e.,
in the constant/turbulenceProperties.<continuous-phase-name>
dictionary).
By default, now, all other moving phases are considered to be dispersed
bubble phases, and the effect of all of them is summed to calculate the
overall bubble induced turbulence.
This behaviour can be overridden by means of a "dispersedPhases" entry,
which takes a list of the phases to be considered dispersed by the
model.
Patch contributed by Timo Niemi, VTT.
The update of mass transfer rates in the population balance system is
now done at the same time as other source terms. This benefits
synchronisation of the mass transfer rate and the source terms and
prevents the system converging to an incorrect state.
Patch contributed by VTT Technical Research Centre of Finland Ltd and
Institute of Fluid Dynamics, Helmholtz-Zentrum Dresden - Rossendorf (HZDR).
In order to improve stability and robustness of fluidised bed cases the
semi-implicit treatment of the particle pressure (pPrime) is now applied within
the time-step sub-cycling along with the phase differential flux update. This
allows the simulations to be performed reliably at a significantly increased
maximum Courant number (up to 5 for some cases) without introducing
chequerboarding patterns in regions of low particle phase fraction which
occurred with the previous algorithm.
The fluidisedBed tutorial has been updated to be more representative of real
bubbling bed cases and to demonstrate the new pPrime functionality.
Developed in collaboration with Timo Niemi, VTT.
These cases now check for a mesh in geometrically identical cases and
copy rather than re-generate if possible. This reduces the run-time of
the test loop by about 20 minutes.
A surface geometry file should be stored in
$FOAM_TUTORIALS/resources/geometry if it is used in multiple cases,
otherwise it should be stored locally to the case. This change enforces
that across all tutorials.
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
Function1 has been generalised in order to provide functionality
previously provided by some near-duplicate pieces of code.
The interpolationTable and tableReader classes have been removed and
their usage cases replaced by Function1. The interfaces to Function1,
Table and TableFile has been improved for the purpose of using it
internally; i.e., without user input.
Some boundary conditions, fvOptions and function objects which
previously used interpolationTable or other low-level interpolation
classes directly have been changed to use Function1 instead. These
changes may not be backwards compatible. See header documentation for
details.
In addition, the timeVaryingUniformFixedValue boundary condition has
been removed as its functionality is duplicated entirely by
uniformFixedValuePointPatchField.
Integral evaluations have been implemented for all the ramp function1-s,
as well as the sine and square wave. Bounds handling has also been added
to the integration of table-type functions.
In addition, the sine wave "t0" paramater has been renamed "start" for
consistency with the ramp functions.
Mass transfer rates now have a more comprehensive naming convention.
"dmdt" means a bulk/mixture transfer, whilst "dmidt" is for a
specie-specific transfer. "dmdt" implies a transfer into a phase, whilst
"dmdtf" means a transfer across an interface. Tables or lists of
transfers are denoted by pluralising the name with the suffix "s"; e.g.,
"dmdtfs". All registered mass transfer rate fields have names which
include the name of the sub-model or phase system which generated them.
The phaseTransfer models have been changed so that the mixture and the
specie-specific mass transfers are independent. This simplifies the
naming convention required for registering the resulting mass transfers
and reduces the amount of logic necessary in the phase system.
The inheritance pattern of the alphat wall functions has been altered so
that the code and parameters relating to phase change are reused, and so
that the base (the Jayatilleke wall function) more closely resembles the
library implementation. This should make it easier to remove it when the
library function is generalised enough to use it directly.
The phaseSystem::zero*Field construction functions have been removed as
their behaviour regarding registration was not clear, and in most
instances of their usage the GeometriField<...>::New methods are
similarly convenient.
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).
Rather than defining patches for all external block faces to provide name and
type use the defaultPatch entry to collect undefined faces into a single named
and typed patch, e.g.
defaultPatch
{
name walls;
type wall;
}
Description
Time-dependent external force restraint using Function1.
Usage
Example applying a constant force to the floatingObject:
restraints
{
force
{
type externalForce;
body floatingObject;
location (0 0 0);
force (100 0 0);
}
}
Based on code contributed by SeongMo Yeon
Resolves contribution request https://bugs.openfoam.org/view.php?id=3358
All multi-specie solvers function on the assumption that the
mass-diffusivities of the different species are the same. A consequence
of this is that the diffusivities of energy and mass must be the same,
otherwise mass diffusivity results in unphysical temperature
fluctuations. This change enforces this requirement across all
multi-species solvers.
For the same reason, the turbulent Schmidt number has been removed from
the multi-component phase model in reactingEulerFoam. In order to obey
physical constraints this Schmidt number had to be exactly the same as
the Prandtl number. This condition is now enforced by the solver, rather
than relying on the input being correct.
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".
The new optional entry alphap is the as phase fraction below which bubble
generated turbulence is included. The default is 1 for backward compatibility.
The purpose of this limiter is to avoid spurious turbulence generation at and
around the interface where bubbles are not present.
Description
Reciprocal polynomial equation of state for liquids and solids
\f[
1/\rho = C_0 + C_1 T + C_2 T^2 - C_3 p - C_4 p T
\f]
This polynomial for the reciprocal of the density provides a much better fit
than the equivalent polynomial for the density and has the advantage that it
support coefficient mixing to support liquid and solid mixtures in an
efficient manner.
Usage
\table
Property | Description
C | Density polynomial coefficients
\endtable
Example of the specification of the equation of state for pure water:
\verbatim
equationOfState
{
C (0.001278 -2.1055e-06 3.9689e-09 4.3772e-13 -2.0225e-16);
}
\endverbatim
Note: This fit is based on the small amount of data which is freely
available for the range 20-65degC and 1-100bar.
This equation of state is a much better fit for water and other liquids than
perfectFluid and in general polynomials for the reciprocal of the density
converge much faster than polynomials of the density. Currently rPolynomial is
quadratic in the temperature and linear in the pressure which is sufficient for
modest ranges of pressure typically encountered in CFD but could be extended to
higher order in pressure and/temperature if necessary. The other huge advantage
in formulating the equation of state in terms of the reciprocal of the density
is that coefficient mixing is simple.
Given these advantages over the perfectFluid equation of state the libraries and
tutorial cases have all been updated to us rPolynomial rather than perfectFluid
for liquids and water in particular.
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)
