From ddfc287758247f5d033b18927e89532da2790da2 Mon Sep 17 00:00:00 2001
From: sergio <sergio>
Date: Fri, 14 Mar 2014 09:36:46 +0000
Subject: [PATCH] ENH: Adding virtual function to basicChemistryModel.H to
calculate the consumption rate of specieI in reactionI. This is used by the
diffusionMulticomponent combustion model to ignite the mixture
---
.../basicChemistryModel/basicChemistryModel.H | 9 +-
.../chemistryModel/chemistryModel.C | 84 ++++++++++++++++++-
.../chemistryModel/chemistryModel.H | 7 ++
.../basicSolidChemistryModel.C | 25 +++++-
.../basicSolidChemistryModel.H | 9 +-
5 files changed, 130 insertions(+), 4 deletions(-)
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H b/src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H
index 55b94ccd5de..89c28de4894 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/basicChemistryModel/basicChemistryModel.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2011-2013 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2011-2014 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -146,6 +146,13 @@ public:
const label i
) = 0;
+ //- Return reaction rate of the specieI in reactionI
+ virtual tmp<DimensionedField<scalar, volMesh> > calculateRR
+ (
+ const label reactionI,
+ const label specieI
+ ) const = 0;
+
// Chemistry solution
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.C b/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.C
index 60c25503819..321c8235d1c 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.C
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.C
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2011-2013 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2011-2014 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -626,6 +626,88 @@ Foam::label Foam::chemistryModel<CompType, ThermoType>::nEqns() const
}
+template<class CompType, class ThermoType>
+Foam::tmp<Foam::DimensionedField<Foam::scalar, Foam::volMesh> >
+Foam::chemistryModel<CompType, ThermoType>::calculateRR
+(
+ const label reactionI,
+ const label specieI
+) const
+{
+ scalar pf, cf, pr, cr;
+ label lRef, rRef;
+
+ const volScalarField rho
+ (
+ IOobject
+ (
+ "rho",
+ this->time().timeName(),
+ this->mesh(),
+ IOobject::NO_READ,
+ IOobject::NO_WRITE,
+ false
+ ),
+ this->thermo().rho()
+ );
+
+ tmp<DimensionedField<scalar, volMesh> > tRR
+ (
+ new DimensionedField<scalar, volMesh>
+ (
+ IOobject
+ (
+ "RR",
+ this->mesh().time().timeName(),
+ this->mesh(),
+ IOobject::NO_READ,
+ IOobject::NO_WRITE
+ ),
+ this->mesh(),
+ dimensionedScalar("zero", dimMass/dimVolume/dimTime, 0.0)
+ )
+ );
+
+ DimensionedField<scalar, volMesh>& RR = tRR();
+
+ const scalarField& T = this->thermo().T();
+ const scalarField& p = this->thermo().p();
+
+ forAll(rho, celli)
+ {
+ const scalar rhoi = rho[celli];
+ const scalar Ti = T[celli];
+ const scalar pi = p[celli];
+
+ scalarField c(nSpecie_, 0.0);
+ for (label i=0; i<nSpecie_; i++)
+ {
+ const scalar Yi = Y_[i][celli];
+ c[i] = rhoi*Yi/specieThermo_[i].W();
+ }
+
+ const scalar w = omegaI
+ (
+ reactionI,
+ c,
+ Ti,
+ pi,
+ pf,
+ cf,
+ lRef,
+ pr,
+ cr,
+ rRef
+ );
+
+ RR[celli] = w*specieThermo_[specieI].W();
+
+ }
+
+ return tRR;
+}
+
+
template<class CompType, class ThermoType>
void Foam::chemistryModel<CompType, ThermoType>::calculate()
{
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H b/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H
index fc6dc79fdbc..368090a2d74 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H
@@ -198,6 +198,13 @@ public:
const label i
);
+ //- Return reaction rate of the specieI in reactionI
+ virtual tmp<DimensionedField<scalar, volMesh> > calculateRR
+ (
+ const label reactionI,
+ const label specieI
+ ) const;
+
//- Solve the reaction system for the given time step
// and return the characteristic time
virtual scalar solve(const scalar deltaT);
diff --git a/src/thermophysicalModels/solidChemistryModel/basicSolidChemistryModel/basicSolidChemistryModel.C b/src/thermophysicalModels/solidChemistryModel/basicSolidChemistryModel/basicSolidChemistryModel.C
index f94db5946b3..123805ada82 100644
--- a/src/thermophysicalModels/solidChemistryModel/basicSolidChemistryModel/basicSolidChemistryModel.C
+++ b/src/thermophysicalModels/solidChemistryModel/basicSolidChemistryModel/basicSolidChemistryModel.C
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2013 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2013-2014 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -84,4 +84,27 @@ Foam::basicSolidChemistryModel::RR(const label i)
}
+Foam::tmp<Foam::DimensionedField<Foam::scalar, Foam::volMesh> >
+Foam::basicSolidChemistryModel::calculateRR
+(
+ const label reactionI,
+ const label specieI
+) const
+{
+ notImplemented
+ (
+ "Foam::DimensionedField<Foam::scalar, Foam::volMesh>&"
+ "basicSolidChemistryModel::calculateRR(const label)"
+ );
+
+ return dynamic_cast<tmp<DimensionedField<scalar, volMesh> >&>
+ (
+ const_cast<DimensionedField<scalar, volMesh>& >
+ (
+ DimensionedField<scalar, volMesh>::null()
+ )
+ );
+}
+
+
// ************************************************************************* //
diff --git a/src/thermophysicalModels/solidChemistryModel/basicSolidChemistryModel/basicSolidChemistryModel.H b/src/thermophysicalModels/solidChemistryModel/basicSolidChemistryModel/basicSolidChemistryModel.H
index 50d6a2e96be..44e10a31732 100644
--- a/src/thermophysicalModels/solidChemistryModel/basicSolidChemistryModel/basicSolidChemistryModel.H
+++ b/src/thermophysicalModels/solidChemistryModel/basicSolidChemistryModel/basicSolidChemistryModel.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2013-2013 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2013-2014 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -133,6 +133,13 @@ public:
const label i
) const = 0;
+ //- Returns the reaction rate of the specieI in reactionI
+ virtual tmp<DimensionedField<scalar, volMesh> > calculateRR
+ (
+ const label reactionI,
+ const label specieI
+ ) const;
+
//- Return sensible enthalpy for gas i [J/Kg]
virtual tmp<volScalarField> gasHs
(
--
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