From 093b4aade674f1b1bdebb5272b85f17fe5b9f540 Mon Sep 17 00:00:00 2001
From: Henry Weller <http://cfd.direct>
Date: Fri, 20 Nov 2015 18:55:36 +0000
Subject: [PATCH] chemkinReader: Add support for reading transport properties
from dictionary Note the dictionary is in OpenFOAM format not CHEMKIN.
Patch provided by Daniel Jasinski
Resolves feature request http://www.openfoam.org/mantisbt/view.php?id=1888
---
.../chemkinToFoam/chemkinToFoam.C | 9 ++++---
.../chemkinReader/chemkinLexer.L | 3 +--
.../chemkinReader/chemkinReader.C | 24 +++++++++++++----
.../chemkinReader/chemkinReader.H | 10 ++++---
.../chemFoam/gri/chemkin/transportProperties | 27 +++++++++++++++++++
.../chemFoam/gri/constant/chemistryProperties | 2 +-
.../gri/constant/thermophysicalProperties | 3 +--
.../chemFoam/gri/system/controlDict | 6 +++--
.../chemFoam/h2/chemkin/transportProperties | 27 +++++++++++++++++++
.../h2/constant/thermophysicalProperties | 3 +--
.../combustion/chemFoam/h2/system/controlDict | 6 +++--
.../ic8h18/chemkin/transportProperties | 27 +++++++++++++++++++
.../ic8h18/constant/thermophysicalProperties | 3 +--
.../chemFoam/ic8h18/system/controlDict | 6 +++--
.../nc7h16/chemkin/transportProperties | 27 +++++++++++++++++++
.../nc7h16/constant/thermophysicalProperties | 3 +--
.../chemFoam/nc7h16/system/controlDict | 6 +++--
.../aachenBomb/chemkin/transportProperties | 27 +++++++++++++++++++
.../constant/thermophysicalProperties | 2 +-
19 files changed, 189 insertions(+), 32 deletions(-)
create mode 100644 tutorials/combustion/chemFoam/gri/chemkin/transportProperties
create mode 100644 tutorials/combustion/chemFoam/h2/chemkin/transportProperties
create mode 100644 tutorials/combustion/chemFoam/ic8h18/chemkin/transportProperties
create mode 100644 tutorials/combustion/chemFoam/nc7h16/chemkin/transportProperties
create mode 100644 tutorials/lagrangian/sprayFoam/aachenBomb/chemkin/transportProperties
diff --git a/applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.C b/applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.C
index 8399c108565..e91f968a872 100644
--- a/applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.C
+++ b/applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.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) 2011-2015 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -42,6 +42,7 @@ int main(int argc, char *argv[])
{
argList::validArgs.append("CHEMKINFile");
argList::validArgs.append("CHEMKINThermodynamicsFile");
+ argList::validArgs.append("CHEMKINTransport");
argList::validArgs.append("FOAMChemistryFile");
argList::validArgs.append("FOAMThermodynamicsFile");
@@ -57,16 +58,16 @@ int main(int argc, char *argv[])
speciesTable species;
- chemkinReader cr(args[1], species, args[2], newFormat);
+ chemkinReader cr(species, args[1], args[3], args[2], newFormat);
- OFstream reactionsFile(args[3]);
+ OFstream reactionsFile(args[4]);
reactionsFile
<< "species" << cr.species() << token::END_STATEMENT << nl << nl;
cr.reactions().write(reactionsFile);
- OFstream thermoFile(args[4]);
+ OFstream thermoFile(args[5]);
cr.speciesThermo().write(thermoFile);
Info<< "End\n" << endl;
diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L
index a081d6fc141..1c8af0b1235 100644
--- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L
+++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinLexer.L
@@ -645,8 +645,7 @@ bool finishReaction = false;
highCpCoeffs,
lowCpCoeffs
),
- 1.67212e-6,
- 170.672
+ transportDict_.subDict(currentSpecieName)
)
);
diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
index 06e6b6ea92d..eef9f3a4dd9 100644
--- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
+++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.C
@@ -774,9 +774,12 @@ void Foam::chemkinReader::addReaction
void Foam::chemkinReader::read
(
const fileName& CHEMKINFileName,
- const fileName& thermoFileName
+ const fileName& thermoFileName,
+ const fileName& transportFileName
)
{
+ transportDict_.read(IFstream(transportFileName)());
+
if (thermoFileName != fileName::null)
{
std::ifstream thermoStream(thermoFileName.c_str());
@@ -824,8 +827,9 @@ void Foam::chemkinReader::read
Foam::chemkinReader::chemkinReader
(
- const fileName& CHEMKINFileName,
speciesTable& species,
+ const fileName& CHEMKINFileName,
+ const fileName& transportFileName,
const fileName& thermoFileName,
const bool newFormat
)
@@ -837,7 +841,7 @@ Foam::chemkinReader::chemkinReader
newFormat_(newFormat),
imbalanceTol_(ROOTSMALL)
{
- read(CHEMKINFileName, thermoFileName);
+ read(CHEMKINFileName, thermoFileName, transportFileName);
}
@@ -868,6 +872,11 @@ Foam::chemkinReader::chemkinReader
thermoFile = fileName(thermoDict.lookup("CHEMKINThermoFile")).expand();
}
+ fileName transportFile
+ (
+ fileName(thermoDict.lookup("CHEMKINTransportFile")).expand()
+ );
+
// allow relative file names
fileName relPath = thermoDict.name().path();
if (relPath.size())
@@ -877,13 +886,18 @@ Foam::chemkinReader::chemkinReader
chemkinFile = relPath/chemkinFile;
}
- if (!thermoFile.isAbsolute())
+ if (thermoFile != fileName::null && !thermoFile.isAbsolute())
{
thermoFile = relPath/thermoFile;
}
+
+ if (!transportFile.isAbsolute())
+ {
+ transportFile = relPath/transportFile;
+ }
}
- read(chemkinFile, thermoFile);
+ read(chemkinFile, thermoFile, transportFile);
}
diff --git a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
index ee1986f60b0..74ee5512dac 100644
--- a/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
+++ b/src/thermophysicalModels/reactionThermo/chemistryReaders/chemkinReader/chemkinReader.H
@@ -208,6 +208,9 @@ private:
//- List of the reactions
ReactionList<gasHThermoPhysics> reactions_;
+ //- Transport properties dictionary
+ dictionary transportDict_;
+
//- Flag to indicate that file is in new format
Switch newFormat_;
@@ -302,10 +305,10 @@ private:
void read
(
const fileName& CHEMKINFileName,
- const fileName& thermoFileName
+ const fileName& thermoFileName,
+ const fileName& transportFileName
);
-
//- Disallow default bitwise copy construct
chemkinReader(const chemkinReader&);
@@ -324,8 +327,9 @@ public:
//- Construct from CHEMKIN III file name
chemkinReader
(
- const fileName& chemkinFile,
speciesTable& species,
+ const fileName& CHEMKINFileName,
+ const fileName& transportFileName,
const fileName& thermoFileName = fileName::null,
const bool newFormat = false
);
diff --git a/tutorials/combustion/chemFoam/gri/chemkin/transportProperties b/tutorials/combustion/chemFoam/gri/chemkin/transportProperties
new file mode 100644
index 00000000000..6e932ca799b
--- /dev/null
+++ b/tutorials/combustion/chemFoam/gri/chemkin/transportProperties
@@ -0,0 +1,27 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "chemkin";
+ object transportProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+".*"
+{
+ transport
+ {
+ As 0;
+ Ts 0;
+ }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/gri/constant/chemistryProperties b/tutorials/combustion/chemFoam/gri/constant/chemistryProperties
index bf097e0ba39..ed98ad965b2 100644
--- a/tutorials/combustion/chemFoam/gri/constant/chemistryProperties
+++ b/tutorials/combustion/chemFoam/gri/constant/chemistryProperties
@@ -33,7 +33,7 @@ EulerImplicitCoeffs
odeCoeffs
{
- solver seulex;
+ solver Rosenbrock34; //SIBS; //seulex;
absTol 1e-12;
relTol 1e-1;
}
diff --git a/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties
index c979a11fd07..90267ad29f8 100644
--- a/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties
+++ b/tutorials/combustion/chemFoam/gri/constant/thermophysicalProperties
@@ -27,8 +27,7 @@ thermoType
}
CHEMKINFile "$FOAM_CASE/chemkin/chem.inp";
-
CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
-
+CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/gri/system/controlDict b/tutorials/combustion/chemFoam/gri/system/controlDict
index 4a0eb6c38ed..be3000bcf40 100644
--- a/tutorials/combustion/chemFoam/gri/system/controlDict
+++ b/tutorials/combustion/chemFoam/gri/system/controlDict
@@ -47,7 +47,9 @@ timePrecision 6;
runTimeModifiable yes;
-suppressSolverInfo yes;
-
+DebugSwitches
+{
+ SolverPerformance 0;
+}
// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/h2/chemkin/transportProperties b/tutorials/combustion/chemFoam/h2/chemkin/transportProperties
new file mode 100644
index 00000000000..6e932ca799b
--- /dev/null
+++ b/tutorials/combustion/chemFoam/h2/chemkin/transportProperties
@@ -0,0 +1,27 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "chemkin";
+ object transportProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+".*"
+{
+ transport
+ {
+ As 0;
+ Ts 0;
+ }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties
index c979a11fd07..90267ad29f8 100644
--- a/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties
+++ b/tutorials/combustion/chemFoam/h2/constant/thermophysicalProperties
@@ -27,8 +27,7 @@ thermoType
}
CHEMKINFile "$FOAM_CASE/chemkin/chem.inp";
-
CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
-
+CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/h2/system/controlDict b/tutorials/combustion/chemFoam/h2/system/controlDict
index caebf52265a..9c63da2ad9e 100644
--- a/tutorials/combustion/chemFoam/h2/system/controlDict
+++ b/tutorials/combustion/chemFoam/h2/system/controlDict
@@ -47,7 +47,9 @@ timePrecision 6;
runTimeModifiable yes;
-suppressSolverInfo yes;
-
+DebugSwitches
+{
+ SolverPerformance 0;
+}
// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/ic8h18/chemkin/transportProperties b/tutorials/combustion/chemFoam/ic8h18/chemkin/transportProperties
new file mode 100644
index 00000000000..6e932ca799b
--- /dev/null
+++ b/tutorials/combustion/chemFoam/ic8h18/chemkin/transportProperties
@@ -0,0 +1,27 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "chemkin";
+ object transportProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+".*"
+{
+ transport
+ {
+ As 0;
+ Ts 0;
+ }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties
index c979a11fd07..90267ad29f8 100644
--- a/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties
+++ b/tutorials/combustion/chemFoam/ic8h18/constant/thermophysicalProperties
@@ -27,8 +27,7 @@ thermoType
}
CHEMKINFile "$FOAM_CASE/chemkin/chem.inp";
-
CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
-
+CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/ic8h18/system/controlDict b/tutorials/combustion/chemFoam/ic8h18/system/controlDict
index 622cadcc0c1..7c100daec0e 100644
--- a/tutorials/combustion/chemFoam/ic8h18/system/controlDict
+++ b/tutorials/combustion/chemFoam/ic8h18/system/controlDict
@@ -47,7 +47,9 @@ timePrecision 6;
runTimeModifiable yes;
-suppressSolverInfo yes;
-
+DebugSwitches
+{
+ SolverPerformance 0;
+}
// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/nc7h16/chemkin/transportProperties b/tutorials/combustion/chemFoam/nc7h16/chemkin/transportProperties
new file mode 100644
index 00000000000..6e932ca799b
--- /dev/null
+++ b/tutorials/combustion/chemFoam/nc7h16/chemkin/transportProperties
@@ -0,0 +1,27 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "chemkin";
+ object transportProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+".*"
+{
+ transport
+ {
+ As 0;
+ Ts 0;
+ }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties b/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties
index c979a11fd07..90267ad29f8 100644
--- a/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties
+++ b/tutorials/combustion/chemFoam/nc7h16/constant/thermophysicalProperties
@@ -27,8 +27,7 @@ thermoType
}
CHEMKINFile "$FOAM_CASE/chemkin/chem.inp";
-
CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
-
+CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
// ************************************************************************* //
diff --git a/tutorials/combustion/chemFoam/nc7h16/system/controlDict b/tutorials/combustion/chemFoam/nc7h16/system/controlDict
index fe0feaaf9df..e2a357da58a 100644
--- a/tutorials/combustion/chemFoam/nc7h16/system/controlDict
+++ b/tutorials/combustion/chemFoam/nc7h16/system/controlDict
@@ -47,7 +47,9 @@ timePrecision 6;
runTimeModifiable yes;
-suppressSolverInfo yes;
-
+DebugSwitches
+{
+ SolverPerformance 0;
+}
// ************************************************************************* //
diff --git a/tutorials/lagrangian/sprayFoam/aachenBomb/chemkin/transportProperties b/tutorials/lagrangian/sprayFoam/aachenBomb/chemkin/transportProperties
new file mode 100644
index 00000000000..c69c457866b
--- /dev/null
+++ b/tutorials/lagrangian/sprayFoam/aachenBomb/chemkin/transportProperties
@@ -0,0 +1,27 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "chemkin";
+ object transportProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+".*"
+{
+ transport
+ {
+ As 1.67212e-6;
+ Ts 170.672;
+ }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties b/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties
index ebae047d0b2..312d8c6b954 100644
--- a/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties
+++ b/tutorials/lagrangian/sprayFoam/aachenBomb/constant/thermophysicalProperties
@@ -27,8 +27,8 @@ thermoType
}
CHEMKINFile "$FOAM_CASE/chemkin/chem.inp";
-
CHEMKINThermoFile "$FOAM_CASE/chemkin/therm.dat";
+CHEMKINTransportFile "$FOAM_CASE/chemkin/transportProperties";
newFormat yes;
--
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