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hy2Foam: Updated turbulent terms and Mach number calculation #141

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hy2Foam: Updated turbulent terms and Mach number calculation #141

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9183e1d
Update createThermoFields.H
alexlshepherd Jul 5, 2023
a7be9bb
Update createReactingFields.H
alexlshepherd Jul 5, 2023
7e0b320
Update YEqn.H
alexlshepherd Jul 5, 2023
1705eca
Update eEqnViscous.H
alexlshepherd Jul 5, 2023
95c625f
Update upwindInterpolation.H
alexlshepherd Jul 5, 2023
39ad01f
Update hTCReactionsES
alexlshepherd Jul 5, 2023
057b9db
Update thermoDEM_TRVE
alexlshepherd Jul 5, 2023
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12 changes: 12 additions & 0 deletions applications/solvers/compressible/hy2Foam/createReactingFields.H
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Original file line number Diff line number Diff line change
Expand Up @@ -73,3 +73,15 @@ if
solveSpeciesEqns = true;
}

//---------------------------------------------------------
// Turbulent Schmidt Number - Alex Shepherd
//---------------------------------------------------------

scalar Sct_
(
readScalar
(
thermo.transportDictionary().subDict("transportModels")
.subDict("diffusionModelParameters").lookup("TurbulentSchmidtNumber")
)
);
21 changes: 20 additions & 1 deletion applications/solvers/compressible/hy2Foam/createThermoFields.H
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Original file line number Diff line number Diff line change
Expand Up @@ -68,10 +68,29 @@ volScalarField Mach
mesh,
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
mag(U)/sqrt(thermo.CpMix()/thermo.CvMix()/psi)
);

// Changed to include total heat capacities, not just translational-rotational. - Alex Shepherd

volScalarField gamma
(
IOobject
(
"gamma",
runTime.timeName(),
mesh,
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
mag(U)/sqrt(thermo.Cp_t()/thermo.Cv_t()/psi)
thermo.CpMix()/thermo.CvMix()
);

// Write out heat capacity ratio. Usefull for post-processing.
// Both Mach and gamma fields are updated in upwindInterpolation.H,
// this wouldn't work otherwise. - Alex Shepherd

volVectorField rhoU
(
IOobject
Expand Down
3 changes: 2 additions & 1 deletion applications/solvers/compressible/hy2Foam/eqns/YEqn.H
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Original file line number Diff line number Diff line change
Expand Up @@ -55,7 +55,8 @@ if (solveSpeciesEqns)
YiEqn +=
fvm::laplacian
(
-speciesDiffusion().rhoD(speciei),
- speciesDiffusion().rhoD(speciei)
- turbulence->mut()/Sct_,
Yi,
"laplacian(rhoD,Yi)"
)
Expand Down
6 changes: 5 additions & 1 deletion applications/solvers/compressible/hy2Foam/eqns/eEqnViscous.H
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Expand Up @@ -5,7 +5,11 @@ if (!inviscid)
fvScalarMatrix eEqnViscous
(
fvm::ddt(rho, e) - fvc::ddt(rho, e)
- fvm::laplacian(thermo.kappa()/thermo.CvMix(), e)
- fvm::laplacian
(
thermo.kappa() / thermo.CvMix() + turbulence->alphat(),
e
)
==
fvOptions(rho, e)
);
Expand Down
17 changes: 12 additions & 5 deletions applications/solvers/compressible/hy2Foam/numerics/upwindInterpolation.H
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Expand Up @@ -112,18 +112,25 @@ else
}
}

//- Fields for boundary conditions
//volScalarField cp("cp", thermo.CpMix());
//volScalarField gamma("gamma", cp/thermo.CvMix());
// - Fields for boundary conditions

// Switched back to using total specific heats for gamma, instead
// of just translational-rotational. Reference doesn't explain why
// the choice was made to use gammatr. - Alex Shepherd

volScalarField cp("cp", thermo.CpMix());
gamma = cp/thermo.CvMix();
volScalarField c(sqrt(gamma*rPsi));

//- In: G. V. Candler and I. Nompelis.
// "Computational Fluid Dynamics for Atmospheric Entry"
// RTO-AVT-VKI Lecture Series 2009-AVT-162, Eq. 3.35, p. 39, 2009
// + gamma = frozen translational-rotational specific heats of the gas mixture
// + convention in hy2Foam: translational-rotational specific heats of the gas
// mixture
volScalarField gammatr("gammatr", thermo.Cp_t()/thermo.Cv_t());
volScalarField c(sqrt(gammatr*rPsi));
// volScalarField gammatr("gammatr", thermo.Cp_t()/thermo.Cv_t());
// volScalarField c(sqrt(gammatr*rPsi));

Mach = mag(U)/c;

surfaceVectorField U_pos("U_pos", rhoU_pos/rho_pos);
Expand Down
74 changes: 41 additions & 33 deletions run/hyStrath/hy2Foam/genericCase/constant/chemDicts/hTCReactionsES
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Expand Up @@ -43,93 +43,101 @@ reactions
// Reaction no 1
/*oxygenReaction
{
type irreversibleArrheniusReaction; // nonEquilibriumReversibleArrheniusReaction;
reaction "O2 + O2 = 2O + O2";
type nonEquilibriumReversiblethirdBodyArrheniusReaction;
reaction "O2 + M = 2O + M";
forward
{
A 7.2e18;
A 7.2e15;
beta -1.0;
Ta 59340.0;
defaultEfficiency 1.0;
}
reverse
{
A 4.0e17;
A 4.0e11;
beta -1.0;
Ta 0.0;
Ta 0.0;
defaultEfficiency 1.0;
}
}

// Reaction no 2
hydrogenReaction
{
type irreversibleArrheniusReaction; // nonEquilibriumReversibleArrheniusReaction;
reaction "H2 + H2 = 2H + H2";
type nonEquilibriumReversiblethirdBodyArrheniusReaction;
reaction "H2 + M = 2H + M";
forward
{
A 5.5e18;
A 5.5e15;
beta -1.0;
Ta 51987.0;
Ta 51987.0;
defaultEfficiency 1.0;
}
reverse
{
A 1.8e18;
A 1.8e12;
beta -1.0;
Ta 0.0;
Ta 0.0;
defaultEfficiency 1.0;
}
}

// Reaction no 3
waterReaction
{
type irreversibleArrheniusReaction; // nonEquilibriumReversibleArrheniusReaction;
reaction "H2O + H2O = OH + H + H2O";
type nonEquilibriumReversiblethirdBodyArrheniusReaction;
reaction "H2O + M = OH + H + M";
forward
{
A 5.2e21;
A 5.2e18;
beta -1.5;
Ta 59386.0;
Ta 59386.0;
defaultEfficiency 1.0;
}
reverse
{
A 4.4e20;
A 4.4e14;
beta -1.5;
Ta 0.0;
Ta 0.0;
defaultEfficiency 1.0;
}
}

// Reaction no 4
hydroxylReaction
{
type irreversibleArrheniusReaction; // nonEquilibriumReversibleArrheniusReaction;
reaction "OH + OH = O + H + OH";
type nonEquilibriumReversiblethirdBodyArrheniusReaction;
reaction "OH + M = O + H + M";
forward
{
A 8.5e18;
A 8.5e15;
beta -1.0;
Ta 50830.0;
defaultEfficiency 1.0;
}
reverse
{
A 7.1e18;
A 7.1e12;
beta -1.0;
Ta 0.0;
Ta 0.0;
defaultEfficiency 1.0;
}
}

// Reaction no 5
oxygenAtomicHydrogenReaction
{
type irreversibleArrheniusReaction; // nonEquilibriumReversibleArrheniusReaction;
type nonEquilibriumReversibleArrheniusReaction;
reaction "O2 + H = OH + O";
forward
{
A 2.2e14;
A 2.2e11;
beta 0.0;
Ta 8455.0;
}
reverse
{
A 1.5e13;
A 1.5e10;
beta 0.0;
Ta 0.0;
}
Expand All @@ -142,13 +150,13 @@ reactions
reaction "H2 + O = OH + H";
forward
{
A 7.5e13;
A 7.5e10;
beta 0.0;
Ta 5586.0;
}
reverse
{
A 3.0e13;
A 3.0e10;
beta 0.0;
Ta 4429.0;
}
Expand All @@ -157,17 +165,17 @@ reactions
// Reaction no 7
waterAtomicOxygenReaction
{
type irreversibleArrheniusReaction; // nonEquilibriumReversibleArrheniusReaction;
type nonEquilibriumReversibleArrheniusReaction;
reaction "H2O + O = OH + OH";
forward
{
A 5.8e13;
A 5.8e10;
beta 0.0;
Ta 9059.0;
}
reverse
{
A 5.3e12;
A 5.3e9;
beta 0.0;
Ta 503.0;
}
Expand All @@ -176,17 +184,17 @@ reactions
// Reaction no 8
waterAtomicHydrogenReaction
{
type irreversibleArrheniusReaction; // nonEquilibriumReversibleArrheniusReaction;
type nonEquilibriumReversibleArrheniusReaction;
reaction "H2O + H = OH + H2";
forward
{
A 8.4e13;
A 8.4e10;
beta 0.0;
Ta 10116.0;
}
reverse
{
A 2.0e13;
A 2.0e10;
beta 0.0;
Ta 2600.0;
}
Expand Down
22 changes: 16 additions & 6 deletions run/hyStrath/hy2Foam/genericCase/constant/thermoDEM_TRVE
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Expand Up @@ -15,6 +15,16 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

/* Notes
* - H2O has 3 rotational dof. Coeff for rot should be 1->1.5
* - H2O2 has 3 rotational dof. Coeff for rot should be 1->1.5
* - H has incorrect enthlapy of formation ratio. Corrected per NIST
* - HO2 has 3 rotational dof. Coeff for rot should be 1->1.5
* - NO2 has 3 rotational dof. Coeff for rot should be 1->1.5
* - CO vibration mode changed from 2->1
*/


// Atoms and molecules data

N2
Expand Down Expand Up @@ -841,7 +851,7 @@ CO
{
decoupledCvCoeffs ( 1.5 1 1 0 0 -13290 0 );
vibrationalList (
2 3122
1 3122
);
electronicList ( 1 0 );
}
Expand Down Expand Up @@ -917,7 +927,7 @@ H
}
thermodynamics
{
decoupledCvCoeffs ( 1.5 0 0 0 0 25474 0 );
decoupledCvCoeffs ( 1.5 0 0 0 0 26219 0 );
vibrationalList ( 0 0 );
electronicList ( 1 0 );
}
Expand Down Expand Up @@ -1005,7 +1015,7 @@ H2O
}
thermodynamics
{
decoupledCvCoeffs ( 1.5 1 1 0 0 -29082 0 );
decoupledCvCoeffs ( 1.5 1.5 1 0 0 -29082 0 );
vibrationalList (
1 2294
1 5180
Expand Down Expand Up @@ -1097,7 +1107,7 @@ HO2
}
thermodynamics
{
decoupledCvCoeffs ( 1.5 1 1 0 0 1263 0 );
decoupledCvCoeffs ( 1.5 1.5 1 0 0 1263 0 );
vibrationalList (
1 1577
1 2059
Expand Down Expand Up @@ -1130,7 +1140,7 @@ NO2
}
thermodynamics
{
decoupledCvCoeffs ( 1.5 1 1 0 0 3993 0 );
decoupledCvCoeffs ( 1.5 1.5 1 0 0 3993 0 );
vibrationalList (
1 930
1 1900
Expand Down Expand Up @@ -1177,7 +1187,7 @@ H2O2
}
thermodynamics
{
decoupledCvCoeffs ( 1.5 1 1 0 0 -16393 0 );
decoupledCvCoeffs ( 1.5 1.5 1 0 0 -16393 0 );
vibrationalList (
1 1250
1 1970
Expand Down