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Merge branch 'feature/cfdemSolverRhoPimple' of https://github.com/ParticulateFlow/CFDEMcoupling into feature/cfdemSolverRhoPimple

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This commit is contained in:
ekinaci
2017-09-04 15:11:51 +02:00
parent 2adc864f0a 4e7246381d
commit 9814464fcf
14 changed files with 154 additions and 46 deletions
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8
applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C
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@ -137,17 +137,15 @@ int main(int argc, char *argv[])
#include "molConc.H"
#include "pEqn.H"
}
m=gSum(rhoeps*1.0*rhoeps.mesh().V());
if(counter==0) m0=m;
counter++;
Info << "\ncurrent gas mass = " << m << "\n" << endl;
Info << "\ncurrent added gas mass = " << m-m0 << "\n" << endl;
if (pimple.turbCorr())
{
turbulence->correct();
}
}
#include "monitorMass.H"
particleCloud.clockM().start(31,"postFlow");
particleCloud.postFlow();
particleCloud.clockM().stop("postFlow");

7
applications/solvers/cfdemSolverRhoPimpleChem/monitorMass.H Normal file
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@ -0,0 +1,7 @@
{
m=gSum(rhoeps*1.0*rhoeps.mesh().V());
if(counter==0) m0=m;
counter++;
Info << "\ncurrent gas mass = " << m << "\n" << endl;
Info << "\ncurrent added gas mass = " << m-m0 << "\n" << endl;
}

20
applications/solvers/cfdemSolverRhoPimpleChem/pEqn.H
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@ -3,12 +3,6 @@ rho = max(rho, rhoMin);
rho = min(rho, rhoMax);
rho.relax();
rhoeps = rho * voidfraction;
// Thermodynamic density needs to be updated by psi*d(p) after the
// pressure solution - done in 2 parts. Part 1:
thermo.rho() -= psi*p;
volScalarField rAU(1.0/UEqn.A());
surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rhoeps*rAU));
if (modelType=="A")
@ -46,20 +40,18 @@ else
constrainPressure(p, rhoeps, U, phi, rhorAUf);
volScalarField SmbyP(particleCloud.chemistryM(0).Sm() / p);
while (pimple.correctNonOrthogonal())
{
// Pressure corrector
fvScalarMatrix pEqn
(
// fvm::ddt(psi*voidfraction, p)
fvc::ddt(rhoeps) + psi*correction(fvm::ddt(voidfraction,p))
fvm::ddt(voidfraction, psi, p)
+ fvc::div(phi)
- fvm::laplacian(rhorAUf, p)
==
// particleCloud.chemistryM(0).Sm()
fvm::Sp(SmbyP, p)
+ fvOptions(psi, p, rho.name())
);
pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
@ -76,21 +68,17 @@ else
// Explicitly relax pressure for momentum corrector
p.relax();
// Second part of thermodynamic density update
thermo.rho() += psi*p;
// Recalculate density from the relaxed pressure
rho = thermo.rho();
rho = max(rho, rhoMin);
rho = min(rho, rhoMax);
rho.relax();
rhoeps = rho * voidfraction;
Info<< "rho max/min : " << max(rho).value()
<< " " << min(rho).value() << endl;
rhoeps = rho * voidfraction;
if (modelType=="A")
{
U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);

109
applications/solvers/cfdemSolverRhoPimpleChem/pEqn_alternative.H Normal file
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@ -0,0 +1,109 @@
rho = thermo.rho();
rho = max(rho, rhoMin);
rho = min(rho, rhoMax);
rho.relax();
rhoeps = rho * voidfraction;
// Thermodynamic density needs to be updated by psi*d(p) after the
// pressure solution - done in 2 parts. Part 1:
thermo.rho() -= psi*p;
volScalarField rAU(1.0/UEqn.A());
surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rhoeps*rAU));
if (modelType=="A")
{
rhorAUf *= fvc::interpolate(voidfraction);
}
volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*Us)& mesh.Sf());
if (pimple.nCorrPISO() <= 1)
{
tUEqn.clear();
}
if (pimple.transonic())
{
// transonic version not implemented yet
}
else
{
surfaceScalarField phiHbyA
(
"phiHbyA",
(
fvc::flux(rhoeps*HbyA)
// + rhorAUf*fvc::ddtCorr(rho, U, phi)
)
);
// flux without pressure gradient contribution
phi = phiHbyA + phiUs;
// Update the pressure BCs to ensure flux consistency
constrainPressure(p, rhoeps, U, phi, rhorAUf);
volScalarField SmbyP(particleCloud.chemistryM(0).Sm() / p);
while (pimple.correctNonOrthogonal())
{
// Pressure corrector
fvScalarMatrix pEqn
(
// fvm::ddt(psi*voidfraction, p)
fvc::ddt(rhoeps) + psi*correction(fvm::ddt(voidfraction,p))
+ fvc::div(phi)
- fvm::laplacian(rhorAUf, p)
==
// particleCloud.chemistryM(0).Sm()
fvm::Sp(SmbyP, p)
+ fvOptions(psi, p, rho.name())
);
pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
if (pimple.finalNonOrthogonalIter())
{
phi += pEqn.flux();
}
}
}
#include "rhoEqn.H"
#include "compressibleContinuityErrsPU.H"
// Explicitly relax pressure for momentum corrector
p.relax();
// Second part of thermodynamic density update
thermo.rho() += psi*p;
// Recalculate density from the relaxed pressure
rho = thermo.rho();
rho = max(rho, rhoMin);
rho = min(rho, rhoMax);
rho.relax();
rhoeps = rho * voidfraction;
Info<< "rho max/min : " << max(rho).value()
<< " " << min(rho).value() << endl;
if (modelType=="A")
{
U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);
}
else
{
U = HbyA - rAU*(fvc::grad(p)-Ksl*Us);
}
U.correctBoundaryConditions();
fvOptions.correct(U);
K = 0.5*magSqr(U);
if (thermo.dpdt())
{
dpdt = fvc::ddt(voidfraction,p);
}

2
src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C
View File

@ -334,7 +334,7 @@ void species::execute()
}
massSourceCurr_ = gSum(changeOfGasMassField_*1.0*changeOfGasMassField_.mesh().V() * Nevery_ * timestep);
massSourceTot_ += massSourceCurr_;
Info << "total conversion of mass:\tcurrent source = " << massSourceCurr_ << ", total source = " << massSourceTot_ << "\n" << endl;
Info << "total conversion of mass:\n\tcurrent source = " << massSourceCurr_ << "\n\ttotal source = " << massSourceTot_ << "\n" << endl;
Info << "get data done" << endl;
}

2
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/CFD/0/CO
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@ -17,7 +17,7 @@ FoamFile
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.3;
internalField uniform 0.0;
boundaryField
{

2
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/CFD/0/O2
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@ -17,7 +17,7 @@ FoamFile
dimensions [0 0 0 0 0 0 0];
internalField uniform 0.7;
internalField uniform 1.0;
boundaryField
{

15
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/CFD/0/T
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@ -23,27 +23,32 @@ boundaryField
{
top
{
type zeroGradient;
type fixedValue;
value uniform 1293.15;
}
bottom
{
type zeroGradient;
type fixedValue;
value uniform 1293.15;
}
side-walls
{
type zeroGradient;
type fixedValue;
value uniform 1293.15;
}
inlet
{
type zeroGradient;
type fixedValue;
value uniform 1293.15;
}
outlet
{
type zeroGradient;
type fixedValue;
value uniform 1293.15;
}
}

2
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/CFD/constant/couplingProperties
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@ -31,7 +31,7 @@ FoamFile
modelType "A"; // A or B
couplingInterval 100;//1000;
couplingInterval 10;//1000;
voidFractionModel divided;//centre;//

5
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/CFD/system/controlDict
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@ -25,11 +25,11 @@ stopAt endTime;
endTime 5.0;
deltaT 0.0001;
deltaT 0.00001;
writeControl timeStep;
writeInterval 50;
writeInterval 1000;
purgeWrite 0;
@ -104,6 +104,7 @@ functions
(
rhoeps
rho
molarConc
);
}

4
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/CFD/system/fvOptions
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@ -22,7 +22,7 @@ source1
{
active yes;
selectionMode all;
Tmin 1293.1;
Tmax 1293.2;
Tmin 1293.15;
Tmax 2000;
}
}

10
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/CFD/system/fvSolution
View File

@ -58,14 +58,14 @@ solvers
{
solver smoothSolver;
smoother symGaussSeidel;
tolerance 1e-05;
tolerance 1e-06;
relTol 0.1;
}
"(U|h|R|k|epsilon)Final"
{
$U;
tolerance 1e-05;
tolerance 1e-07;
relTol 0;
}
@ -77,7 +77,7 @@ solvers
"(Yi|CO2|O2)Final"
{
$Yi;
tolerance 1e-06;
tolerance 1e-08;
relTol 0;
}
}
@ -98,13 +98,13 @@ relaxationFactors
{
fields
{
".*" 1;
p 0.3;
}
equations
{
".*" 1;
}
}
*/
// ************************************************************************* //

2
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/CFD/system/probesDict
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@ -21,7 +21,7 @@ fields
rho
p
T
molC
molarConc
O2
O
CO2

10
tutorials/cfdemSolverRhoPimpleChem/Shrinking_particle_model_multispecies/DEM/in.liggghts_run
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@ -45,21 +45,21 @@ fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zp
###############################################
# cfd coupling
fix cfd all couple/cfd couple_every 100 mpi
fix cfd all couple/cfd couple_every 10 mpi
fix cfd2 all couple/cfd/force
# this should invoke chemistry
fix cfd3 all couple/cfd/chemistry n_species 5 species_names O2 CO2 N2 CO O
# this should shrink the particle
#fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e1 rmin 0.005 nevery 100 screen yes
#fix cfd5 all chem/shrink speciesA CO2 molMassA 44.01 speciesC CO molMassC 28.01 nuC 2 molMassB 12.01 k 2.5e1 rmin 0.005 nevery 100
fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 0.1 rmin 0.005 nevery 10 screen yes
fix cfd5 all chem/shrink speciesA CO2 molMassA 44.01 speciesC CO molMassC 28.01 nuC 2 molMassB 12.01 k 0.02 rmin 0.005 nevery 10 screen yes
# values for k0 and T0 according to Shen et al., Fuel (2011) with a coke density of 800 kg / m^3
# C + O2 -> CO2 k0 = 4e3 m/s T0 = 10855 K
# C + CO2 -> 2CO k0 = 6e6 m/s T0 = 29018 K
fix cfd4 all chem/shrink/Arrhenius speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 rmin 0.005 nevery 100 screen yes k 4.0e3 T 10855
fix cfd5 all chem/shrink/Arrhenius speciesA CO2 molMassA 44.01 speciesC CO molMassC 28.01 nuC 2 molMassB 12.01 rmin 0.005 nevery 100 screen yes k 6e6 T 29018
#fix cfd4 all chem/shrink/Arrhenius speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 rmin 0.005 nevery 10 screen yes k 4.0e3 T 10855
#fix cfd5 all chem/shrink/Arrhenius speciesA CO2 molMassA 44.01 speciesC CO molMassC 28.01 nuC 2 molMassB 12.01 rmin 0.005 nevery 10 screen yes k 6e6 T 29018
# apply nve integration to all particles that are inserted as single particles