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IDProjectCategoryView StatusLast Update
0002582OpenFOAMBugpublic2017-06-15 16:47
Reporterrcr Assigned Tohenry  
PrioritynormalSeverityfeatureReproducibilityalways
Status closedResolutionsuspended 
PlatformGNU/LinuxOSXubuntuOS Version16.04
Summary0002582: Error in chemkinReader and chemkinToFoam CHEMKIN transport data reading
DescriptionIn laminar simulation, transport data is not read by both chemkinReader and chemkinToFoam utilities. It gives the following error message:

/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 4.1 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
Build : 4.1
Exec : reactingFoam
Date : Jun 13 2017
Time : <EDITED>
Host : <EDITED>
PID : <EDITED>
Case : /home/<USER>/OpenFOAM/<USER>-4.1/run/tutorials/combustion/reactingFoam/laminar/try
nProcs : 1
sigFpe : Enabling floating point exception trapping (FOAM_SIGFPE).
fileModificationChecking : Monitoring run-time modified files using timeStampMaster
allowSystemOperations : Allowing user-supplied system call operations

// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
Create time

Create mesh for time = 0


PIMPLE: Operating solver in PISO mode

Using LTS
Creating reaction model

Selecting combustion model laminar<psiChemistryCombustion>
Selecting chemistry type
{
    chemistrySolver EulerImplicit;
    chemistryThermo psi;
}

Selecting thermodynamics package
{
    type hePsiThermo;
    mixture reactingMixture;
    transport sutherland;
    thermo janaf;
    energy sensibleEnthalpy;
    equationOfState perfectGas;
    specie specie;
}

Selecting chemistryReader chemkinReader


--> FOAM FATAL IO ERROR:
"ill defined primitiveEntry starting at keyword 'AR' on line 1 and ending at line 112"

file: /home/<USER>/OpenFOAM/<USER>-4.1/run/tutorials/combustion/reactingFoam/laminar/try/chemkin/transport.dat at line 112.

    From function void Foam::primitiveEntry::readEntry(const Foam::dictionary&, Foam::Istream&)
    in file db/dictionary/primitiveEntry/primitiveEntryIO.C at line 189.

FOAM exiting

In this case, using GRI 3.0, it was strange that the CHEMKIN file only has 110 lines, not the 112 interpreted by OpenFOAM.
Steps To ReproduceThe simulation was based on the tutorial of /tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D, only changing, in thermophysicalProperties file, "chemistryReader foamChemistryReader" to "chemistryReader chemkinReader", and indicating the respective CHEMKINFile, CHEMKINThermoFile and CHEMKINTransportFile paths.

All other files were kept the same.

I ran blockMesh in the main case directory, with normal output.

Then I ran reactingFoam, with the indicated error output.

The chemical kinetic scheme was GRI 3.0, from http://combustion.berkeley.edu/gri-mech/version30/text30.html#thefiles , whose transport data file begins with

AR 0 136.500 3.330 0.000 0.000 0.000
C 0 71.400 3.298 0.000 0.000 0.000 ! *
C2 1 97.530 3.621 0.000 1.760 4.000
C2O 1 232.400 3.828 0.000 0.000 1.000 ! *
CN2 1 232.400 3.828 0.000 0.000 1.000 ! OIS

The only modification in the scheme was to change "THERMO" to "THERMO ALL" in the thermodynamics file.
TagschemkinReader, Combustion, Fatal Error, laminar combustion, reactingFoam

Activities

rcr

2017-06-14 10:29

reporter  

transport.dat (8,118 bytes)

henry

2017-06-14 10:43

manager   ~0008218

The CHEMKIN transport modeling and file format are not yet supported and it would take a very significant investment to add this functionality. Take a look at the transportProperties file in OpenFOAM-4.x/tutorials/combustion/chemFoam/gri/chemkin and you will see that it is using an OpenFOAM format with Sutherland transport modeling hard-coded.

henry

2017-06-15 16:47

manager   ~0008223

Feature request requiring contribution and/or funding.

Issue History

Date Modified Username Field Change
2017-06-14 10:26 rcr New Issue
2017-06-14 10:26 rcr Tag Attached: Combustion
2017-06-14 10:26 rcr Tag Attached: Fatal Error
2017-06-14 10:26 rcr Tag Attached: chemkinReader
2017-06-14 10:26 rcr Tag Attached: laminar combustion
2017-06-14 10:26 rcr Tag Attached: reactingFoam
2017-06-14 10:29 rcr File Added: transport.dat
2017-06-14 10:43 henry Note Added: 0008218
2017-06-15 16:46 henry Severity minor => feature
2017-06-15 16:47 henry Assigned To => henry
2017-06-15 16:47 henry Status new => closed
2017-06-15 16:47 henry Resolution open => suspended
2017-06-15 16:47 henry Note Added: 0008223