Added Compact splitting for unsteady solvers

acuoci · b9f1290184cb885c6f1972eaa499e1120146168d · acuoci committed Dec 15, 2016 · Dec 15, 2016 · b9f1290
1 parent 916d73b
commit b9f1290184cb885c6f1972eaa499e1120146168d
diff --git a/mybashrc.complete b/mybashrc.complete
@@ -1,8 +1,8 @@
 #OpenFOAM VERSION (22, 23, 24, 30)
-export OPENFOAM_VERSION='-DOPENFOAM_VERSION=30'
+export OPENFOAM_VERSION='-DOPENFOAM_VERSION=24'
 
 #Compulsory path
-export EIGEN_LIBRARY_PATH=/software/chimica2/libraries/eigen/eigen-3.3-dev
+export EIGEN_LIBRARY_PATH=/software/chimica2/libraries/eigen/eigen-3.3.1
 export BOOST_LIBRARY_PATH=/software/chimica2/libraries/boost/boost-1.60.0-gcc-4.8.2
 export RAPIDXML_LIBRARY_PATH=/software/chimica2/libraries/rapidxml/rapidxml-1.13
 
diff --git a/mybashrc.minimalist b/mybashrc.minimalist
@@ -2,7 +2,7 @@
 export OPENFOAM_VERSION='-DOPENFOAM_VERSION=30'
 
 #Compulsory path
-export EIGEN_LIBRARY_PATH=/software/chimica2/libraries/eigen/eigen-3.3-dev
+export EIGEN_LIBRARY_PATH=/software/chimica2/libraries/eigen/eigen-3.3.1
 export BOOST_LIBRARY_PATH=/software/chimica2/libraries/boost/boost-1.60.0-gcc-4.8.2
 export RAPIDXML_LIBRARY_PATH=/software/chimica2/libraries/rapidxml/rapidxml-1.13
  
diff --git a/mybashrc.minimalist.mkl b/mybashrc.minimalist.mkl
@@ -1,8 +1,8 @@
 #OpenFOAM VERSION (22, 23, 24, 30)
-export OPENFOAM_VERSION='-DOPENFOAM_VERSION=30'
+export OPENFOAM_VERSION='-DOPENFOAM_VERSION=24'
 
 #Compulsory path
-export EIGEN_LIBRARY_PATH=/software/chimica2/libraries/eigen/eigen-3.3-dev
+export EIGEN_LIBRARY_PATH=/software/chimica2/libraries/eigen/eigen-3.3.1
 export BOOST_LIBRARY_PATH=/software/chimica2/libraries/boost/boost-1.60.0-gcc-4.8.2
 export RAPIDXML_LIBRARY_PATH=/software/chimica2/libraries/rapidxml/rapidxml-1.13
 
diff --git a/run/tutorials/ToroFlames/F3/laminarBuoyantPimpleSMOKE/constant/solverOptions b/run/tutorials/ToroFlames/F3/laminarBuoyantPimpleSMOKE/constant/solverOptions
@@ -43,6 +43,8 @@ PhysicalModel
 	zMixEquation			on;
 	tauEquation			on;
 	zMixDmixSpecies			N2;
+
+	minTemperature4Chemistry	0;
 }
 
 Output
diff --git a/run/tutorials/ToroFlames/F3/laminarBuoyantSimpleSMOKE/constant/solverOptions b/run/tutorials/ToroFlames/F3/laminarBuoyantSimpleSMOKE/constant/solverOptions
@@ -28,7 +28,7 @@ SteadyState
 	propertiesUpdate	10;
 	implicitSourceTerm 	true;
 	orderSpecies		"sweep";
-	exceptionalSpecies	(none );
+	exceptionalSpecies	( none );
 }
 
 PhysicalModel
@@ -53,6 +53,8 @@ PhysicalModel
 	zMixEquation			on;
 	tauEquation			on;
 	zMixDmixSpecies			N2;
+
+	minTemperature4Chemistry	0;
 }
 
 Radiation
diff --git a/run/tutorials/ToroFlames/F3/laminarPimpleSMOKE/constant/solverOptions b/run/tutorials/ToroFlames/F3/laminarPimpleSMOKE/constant/solverOptions
@@ -43,6 +43,8 @@ PhysicalModel
 	zMixEquation			on;
 	tauEquation			on;
 	zMixDmixSpecies			N2;
+
+	minTemperature4Chemistry	0;
 }
 
 Radiation
diff --git a/run/tutorials/ToroFlames/F3/laminarSimpleSMOKE/constant/solverOptions b/run/tutorials/ToroFlames/F3/laminarSimpleSMOKE/constant/solverOptions
@@ -53,6 +53,8 @@ PhysicalModel
 	zMixEquation			on;
 	tauEquation			on;
 	zMixDmixSpecies			N2;
+
+	minTemperature4Chemistry	0;
 }
 
 Radiation
diff --git a/run/validation/ToroFlames/F3/01-initial-solution/constant/solverOptions b/run/validation/ToroFlames/F3/01-initial-solution/constant/solverOptions
@@ -43,6 +43,8 @@ PhysicalModel
 	zMixEquation			on;
 	tauEquation			on;
 	zMixDmixSpecies			N2;
+
+	minTemperature4Chemistry	0;
 }
 
 Output
diff --git a/run/validation/ToroFlames/F3/02-steady-state/constant/solverOptions b/run/validation/ToroFlames/F3/02-steady-state/constant/solverOptions
@@ -53,6 +53,8 @@ PhysicalModel
 	zMixEquation			on;
 	tauEquation			on;
 	zMixDmixSpecies			N2;
+
+	minTemperature4Chemistry	0;
 }
 
 Output
diff --git a/run/validation/ToroFlames/F3/03-fine-grid/constant/solverOptions b/run/validation/ToroFlames/F3/03-fine-grid/constant/solverOptions
@@ -53,6 +53,8 @@ PhysicalModel
 	zMixEquation			on;
 	tauEquation			on;
 	zMixDmixSpecies			N2;
+
+	minTemperature4Chemistry	0;
 }
 
 Output
diff --git a/solvers/laminarBuoyantPimpleSMOKE/laminarPimpleSMOKE.2x.H b/solvers/laminarBuoyantPimpleSMOKE/laminarPimpleSMOKE.2x.H
@@ -88,6 +88,10 @@
 			{
 				#include "Policy_ReactionTransport.H"
 			}
+			else if (strangAlgorithm == STRANG_COMPACT)
+			{
+				#include "Policy_Compact.H"
+			}
 		}
 		else
 		{
@@ -98,7 +102,11 @@
 			else if (strangAlgorithm == STRANG_MOMENTUM_REACTION_TRANSPORT)
 			{
 				#include "Policy_MomentumReactionTransport.H"
-			}		
+			}	
+			else if (strangAlgorithm == STRANG_COMPACT)
+			{
+				#include "Policy_MomentumCompact.H"
+			}	
 		}
 
 		// Passive scalars
diff --git a/solvers/laminarBuoyantPimpleSMOKE/laminarPimpleSMOKE.3x.H b/solvers/laminarBuoyantPimpleSMOKE/laminarPimpleSMOKE.3x.H
@@ -88,6 +88,10 @@
 			{
 				#include "Policy_ReactionTransport.H"
 			}
+			else if (strangAlgorithm == STRANG_COMPACT)
+			{
+				#include "Policy_Compact.H"
+			}
 		}
 		else
 		{
@@ -98,6 +102,10 @@
 			else if (strangAlgorithm == STRANG_MOMENTUM_REACTION_TRANSPORT)
 			{
 				#include "Policy_MomentumReactionTransport.H"
+			}
+			else if (strangAlgorithm == STRANG_COMPACT)
+			{
+				#include "Policy_MomentumCompact.H"
 			}		
 		}
 
diff --git a/solvers/laminarPimpleSMOKE/laminarPimpleSMOKE.2x.H b/solvers/laminarPimpleSMOKE/laminarPimpleSMOKE.2x.H
@@ -84,6 +84,10 @@
 			{
 				#include "Policy_ReactionTransport.H"
 			}
+			else if (strangAlgorithm == STRANG_COMPACT)
+			{
+				#include "Policy_Compact.H"
+			}
 		}
 		else
 		{
@@ -94,6 +98,10 @@
 			else if (strangAlgorithm == STRANG_MOMENTUM_REACTION_TRANSPORT)
 			{
 				#include "Policy_MomentumReactionTransport.H"
+			}
+			else if (strangAlgorithm == STRANG_COMPACT)
+			{
+				#include "Policy_MomentumCompact.H"
 			}		
 		}
 
diff --git a/solvers/laminarPimpleSMOKE/laminarPimpleSMOKE.3x.H b/solvers/laminarPimpleSMOKE/laminarPimpleSMOKE.3x.H
@@ -102,6 +102,10 @@
 			{
 				#include "Policy_ReactionTransport.H"
 			}
+			else if (strangAlgorithm == STRANG_COMPACT)
+			{
+				#include "Policy_Compact.H"
+			}
 		}
 		else
 		{
@@ -112,6 +116,10 @@
 			else if (strangAlgorithm == STRANG_MOMENTUM_REACTION_TRANSPORT)
 			{
 				#include "Policy_MomentumReactionTransport.H"
+			}
+			else if (strangAlgorithm == STRANG_COMPACT)
+			{
+				#include "Policy_MomentumCompact.H"
 			}		
 		}
 
diff --git a/solvers/laminarSMOKE/createChemicalFields.H b/solvers/laminarSMOKE/createChemicalFields.H
@@ -46,6 +46,7 @@ PtrList<volScalarField> X(thermodynamicsMapXML->NumberOfSpecies());
 PtrList<volScalarField> Dmix(thermodynamicsMapXML->NumberOfSpecies());
 PtrList<volScalarField> CpSpecies(thermodynamicsMapXML->NumberOfSpecies());
 PtrList<volScalarField> FormationRates(outputFormationRatesIndices.size());
+PtrList<volScalarField> RR(thermodynamicsMapXML->NumberOfSpecies());
 
 #if STEADYSTATE == 1
 PtrList<volScalarField> sourceImplicit(thermodynamicsMapXML->NumberOfSpecies()+1);
@@ -152,6 +153,26 @@ for(int i=0;i<thermodynamicsMapXML->NumberOfSpecies();i++)
                                 dimensionSet(0, 0, 0, 0, 0)
                         )
                 );
+
+		#if STEADYSTATE == 0
+		RR.set
+                (
+                        i,
+                        new volScalarField
+                        (
+                                IOobject
+                                (
+                                "thermo_RR_"+ thermodynamicsMapXML->NamesOfSpecies()[i],
+                                mesh.time().timeName(),
+                                mesh,
+                                IOobject::NO_READ,
+                                IOobject::NO_WRITE
+                                ),
+                                mesh,
+                                dimensionedScalar("RR", dimensionSet(1, -3, -1, 0, 0), 0.0)
+                        )
+                );
+		#endif
 	}
 
 	// check if field exists and can be read
@@ -211,6 +232,25 @@ for(int i=0;i<thermodynamicsMapXML->NumberOfSpecies();i++)
 	}
 }
 
+#if STEADYSTATE == 0
+
+Info<< "Creating field RT\n" << endl;
+volScalarField RT
+(
+	IOobject
+	(
+		"RT",
+		runTime.timeName(),
+		mesh,
+		IOobject::NO_READ,
+		IOobject::NO_WRITE
+	),
+	mesh,
+	dimensionedScalar("RT", dimensionSet(1, -1, -3, 0, 0), 0.0)
+);
+
+#endif
+
 #if STEADYSTATE == 1
 
 for (int i=0;i<thermodynamicsMapXML->NumberOfSpecies();i++)
diff --git a/solvers/laminarSMOKE/readOptions.H b/solvers/laminarSMOKE/readOptions.H
@@ -90,7 +90,7 @@ const dictionary& kineticsDictionary = solverOptions.subDict("Kinetics");
 scalar massFractionsTol = 1e-10;
 
 //- Internal models
-enum { STRANG_MOMENTUM_TRANSPORT_REACTION, STRANG_MOMENTUM_REACTION_TRANSPORT} strangAlgorithm;
+enum { STRANG_MOMENTUM_TRANSPORT_REACTION, STRANG_MOMENTUM_REACTION_TRANSPORT, STRANG_COMPACT } strangAlgorithm;
 enum { DIFFUSIVITY_MODEL_MULTICOMPONENT, DIFFUSIVITY_MODEL_LEWIS_NUMBERS} diffusivityModel;
 
 // Physical model
@@ -122,7 +122,7 @@ const dictionary& physicalModelDictionary = solverOptions.subDict("PhysicalModel
 	homogeneousReactions = Switch(physicalModelDictionary.lookup(word("homogeneousReactions")));
 	includeDpDt = Switch(physicalModelDictionary.lookup(word("includeDpDt")));
 	iMassDiffusionInEnergyEquation = Switch(physicalModelDictionary.lookup(word("massDiffusionInEnergyEquation")));
-	//direct_integration_minimum_temperature_for_chemistry  = readScalar(physicalModelDictionary.lookup("minTemperature4Chemistry"));
+	direct_integration_minimum_temperature_for_chemistry  = readScalar(physicalModelDictionary.lookup("minTemperature4Chemistry"));
 	
 	// Thermophoretic effect
 	thermophoreticEffect = Switch(physicalModelDictionary.lookup(word("thermophoreticEffect")));
@@ -142,9 +142,10 @@ const dictionary& physicalModelDictionary = solverOptions.subDict("PhysicalModel
 		word strang(physicalModelDictionary.lookup("strangAlgorithm"));
 		if (strang == "MomentumTransportReaction")	strangAlgorithm = STRANG_MOMENTUM_TRANSPORT_REACTION;
 		else if (strang == "MomentumReactionTransport")	strangAlgorithm = STRANG_MOMENTUM_REACTION_TRANSPORT;
+		else if (strang == "Compact")			strangAlgorithm = STRANG_COMPACT;
 		else
 		{
-			Info << "Wrong strangAlgorithm option: MomentumTransportReaction || MomentumReactionTransport" << endl;
+			Info << "Wrong strangAlgorithm option: MomentumTransportReaction || MomentumReactionTransport || Compact" << endl;
 			abort();
 		}
 	}
diff --git a/solvers/laminarSMOKE/unsteady/BatchReactorHomogeneousConstantPressure.H b/solvers/laminarSMOKE/unsteady/BatchReactorHomogeneousConstantPressure.H
@@ -104,6 +104,8 @@ private:
 
 	OpenSMOKE::DRG* drg_;
 	bool drgAnalysis_;
+
+	bool debug_;
 };
 
 unsigned int BatchReactorHomogeneousConstantPressure::NumberOfEquations() const
@@ -133,6 +135,7 @@ BatchReactorHomogeneousConstantPressure::BatchReactorHomogeneousConstantPressure
 		energyEquation_ = true;
 		isat_ = false;
 		drgAnalysis_ = false;
+		debug_ = false;
 	}
 
 void BatchReactorHomogeneousConstantPressure::SetReactor( const double P0 )
@@ -203,7 +206,7 @@ int BatchReactorHomogeneousConstantPressure::Equations(const double t, const Ope
 		kineticsMap_.KineticConstants();
 		kineticsMap_.ReactionRates(c_);
 		kineticsMap_.FormationRates(&R_);
-	
+
 		// Species equations
 		for (unsigned int i=1;i<=NC_;++i)	
 			dy[i] = thermodynamicsMap_.MW()[i]*R_[i]/rho_;
@@ -223,6 +226,29 @@ int BatchReactorHomogeneousConstantPressure::Equations(const double t, const Ope
 		// ISAT Equation
 		if (isat_ == true)
 			dy[NC_+2] = 0.;
+
+		if (debug_ == true)
+		{
+			Info << " * T: " << T_ << endl;
+			Info << " * P: " << P0_ << endl;
+			for(unsigned int i=0;i<NC_;i++)
+				Info << " * " << thermodynamicsMap_.NamesOfSpecies()[i] << ": " << omega_[i+1] << endl;
+
+			Info << " * cTot: " << cTot_ << endl;
+			Info << " * xsum: " << x_.SumElements() << endl;
+			Info << " * MW: " << MW_ << endl;
+
+			double sum = 0.;
+			for(unsigned int i=0;i<NC_;i++)
+			{
+				Info << " * " << thermodynamicsMap_.NamesOfSpecies()[i] << ": " << thermodynamicsMap_.MW()[i+1]*R_[i+1] << endl;
+				sum += thermodynamicsMap_.MW()[i+1]*R_[i+1];
+			}
+			Info << " * sum: " << sum << endl;
+
+			Info << " * Cp: " << CpMixMass_ << endl;
+			Info << " * QR: " << QR_ << endl;
+		}
 	}
 	else
 	{
diff --git a/solvers/laminarSMOKE/unsteady/Policy_Compact.H b/solvers/laminarSMOKE/unsteady/Policy_Compact.H
@@ -0,0 +1,43 @@
+/*-----------------------------------------------------------------------*\
+|                                                                         |
+|                    ╔═══╦═╗╔═╦═══╦╗╔═╦═══╗                               |
+|                    ║╔═╗║║╚╝║║╔═╗║║║╔╣╔══╝                               | 
+|   ╔╗╔══╦╗╔╦╦═╗╔══╦═╣╚══╣╔╗╔╗║║ ║║╚╝╝║╚══╗                               |
+|   ║║║╔╗║╚╝╠╣╔╗╣╔╗║╔╩══╗║║║║║║║ ║║╔╗║║╔══╝                               |
+|   ║╚╣╔╗║║║║║║║║╔╗║║║╚═╝║║║║║║╚═╝║║║╚╣╚══╗                               |
+|   ╚═╩╝╚╩╩╩╩╩╝╚╩╝╚╩╝╚═══╩╝╚╝╚╩═══╩╝╚═╩═══╝                               |
+|                                                                         |
+|                                                                         |
+|   Authors: A. Cuoci                                                     |
+|                                                                         |
+|   Contacts: Alberto Cuoci                                               |
+|   email: alberto.cuoci@polimi.it                                        |
+|   Department of Chemistry, Materials and Chemical Engineering           |
+|   Politecnico di Milano                                                 |
+|   P.zza Leonardo da Vinci 32, 20133 Milano (Italy)                      |
+|                                                                         |
+|-------------------------------------------------------------------------|
+|                                                                         |
+|   This file is part of laminarSMOKE solver.                             |
+|                                                                         |
+|   License                                                               |
+|                                                                         |
+|   Copyright(C) 2016, 2015, 2014 A. Cuoci                                |
+|   laminarSMOKE is free software: you can redistribute it and/or modify  |
+|   it under the terms of the GNU General Public License as published by  |
+|   the Free Software Foundation, either version 3 of the License, or     |
+|   (at your option) any later version.                                   |
+|                                                                         |
+|   laminarSMOKE is distributed in the hope that it will be useful,       |
+|   but WITHOUT ANY WARRANTY; without even the implied warranty of        |
+|   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the         |
+|   GNU General Public License for more details.                          |
+|                                                                         |
+|   You should have received a copy of the GNU General Public License     |
+|   along with laminarSMOKE. If not, see <http://www.gnu.org/licenses/>.  |
+|                                                                         |
+\*-----------------------------------------------------------------------*/
+
+{
+	#include "Policy_ReactionTransport.H"
+}