From e6773d7da67bf708fde01dc4e32ded33e9aaebc9 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Daniel=20Jasi=C5=84ski?= Date: Tue, 17 Nov 2015 12:09:09 +0100 Subject: [PATCH] Chemkin Reader and chemkinToFoam - read transport properties --- .../thermophysical/chemkinToFoam/chemkinToFoam.C | 7 ++++--- .../chemistryReaders/chemkinReader/chemkinLexer.L | 3 +-- .../chemistryReaders/chemkinReader/chemkinReader.C | 24 +++++++++++++++++----- .../chemistryReaders/chemkinReader/chemkinReader.H | 10 ++++++--- 4 files changed, 31 insertions(+), 13 deletions(-) diff --git a/applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.C b/applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.C index 8399c10..88a68c1 100644 --- a/applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.C +++ b/applications/utilities/thermophysical/chemkinToFoam/chemkinToFoam.C @@ -41,6 +41,7 @@ using namespace Foam; int main(int argc, char *argv[]) { argList::validArgs.append("CHEMKINFile"); + argList::validArgs.append("CHEMKINTransport"); argList::validArgs.append("CHEMKINThermodynamicsFile"); 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[2], args[3], 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 98a7bbd..841808a 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 2334241..fb4a218 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()); @@ -830,8 +833,9 @@ void Foam::chemkinReader::read Foam::chemkinReader::chemkinReader ( - const fileName& CHEMKINFileName, speciesTable& species, + const fileName& CHEMKINFileName, + const fileName& transportFileName, const fileName& thermoFileName, const bool newFormat ) @@ -843,7 +847,7 @@ Foam::chemkinReader::chemkinReader newFormat_(newFormat), imbalanceTol_(ROOTSMALL) { - read(CHEMKINFileName, thermoFileName); + read(CHEMKINFileName, thermoFileName, transportFileName); } @@ -874,6 +878,11 @@ 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()) @@ -883,13 +892,18 @@ 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 ee1986f..74ee551 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 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 ); -- 1.9.1