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Old   July 14, 2011, 20:58
Default question about chemkinToFoam
  #1
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Sunny Karnani
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Hi.
I recently upgraded to OpenFOAM 2.0 and I've run in to a small issue using the chemkinToFoam utility. Instead of getting something that looks like


OH
{
specie
{
nMoles 1;
molWeight 17.0074;
}
thermodynamics
{
Tlow 200;
Thigh 3500;
Tcommon 1000;
highCpCoeffs ( 3.09289 0.00054843 1.26505e-07 -8.79462e-11 1.17412e-14 3858.66 4.4767 );
lowCpCoeffs ( 3.99202 -0.00240132 4.61794e-06 -3.88113e-09 1.36411e-12 3615.08 -0.103925 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}


I get something like the following:

CN
{

{
nMoles 1;
molWeight 26.0179;
}

{
Tlow 200;
Thigh 6000;
Tcommon 1000;
highCpCoeffs ( 3.74598 4.34508e-05 2.9706e-07 -6.86518e-11 4.41342e-15 51536.2 2.78676 );
lowCpCoeffs ( 3.61294 -0.000955513 2.1443e-06 -3.15163e-10 -4.64304e-13 51708.3 3.9805 );
}

{
As 1.67212e-06;
Ts 170.672;
}
}

Without those tags before each grouping, I get an error that reads,

Selecting psiChemistryModel ODEChemistryModel<gasThermoPhysics>
Selecting thermodynamics package hsPsiMixtureThermo<reactingMixture<gasThermoPhysic s>>
Selecting chemistryReader foamChemistryReader
--> FOAM Warning :
From function entry::getKeyword(keyType&, Istream&)
in file db/dictionary/entry/entryIO.C at line 77
Reading /home/sunny/OpenFOAM/sunny-2.0.0/run/tutorials/combustion/reactingFoam/ras/counterFlowFlame2D/chemistry/test2
found on line 25 the punctuation token '{'
expected either } or EOF


--> FOAM FATAL IO ERROR:
keyword specie is undefined in dictionary "/home/sunny/OpenFOAM/sunny-2.0.0/run/tutorials/combustion/reactingFoam/ras/counterFlowFlame2D/chemistry/test2::CN"

file: /home/sunny/OpenFOAM/sunny-2.0.0/run/tutorials/combustion/reactingFoam/ras/counterFlowFlame2D/chemistry/test2::CN

From function dictionary::subDict(const word& keyword) const
in file db/dictionary/dictionary.C at line 461.

FOAM exiting


I can't be sure, but I imagine this is a straightforward fix. The problem is, I don't know where to begin.

Any suggestions?

Thanks.
Sunny

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Old   July 15, 2011, 04:14
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Laurence R. McGlashan
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Interesting, I also have an issue with reading the thermo file, with an error

Quote:
--> FOAM FATAL ERROR:
while reading thermodynamic data specie formula on line 2
expected <word><label><word><label><word><label><word><labe l> (4(2A1,I3)) but found '"."00'

From function chemkinReader::lex()
in file chemistryReaders/chemkinReader/chemkinLexer.L at line 1497.

If you post up your chem.inp and therm.dat files I can take a look.
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Old   July 15, 2011, 12:40
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Sunny Karnani
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Thanks for your willingness to assist. I attached three files:

1 & 2 are the original CHEMKIN mechanism and thermo file. The third file is the FOAM converted thermo file. You will notice in the FOAM thermo file that the first specie -- OH -- has the required tags that I mentioned in the previous post. I had put those in to test if that was the source of the error.

BTW, which version of OpenFOAM and solver are you using? Your error looks like a similar issue, but the output is different.

Thanks again.
Sunny
Attached Files
File Type: txt grimech30.txt (28.5 KB, 31 views)
File Type: txt thermo30.txt (17.6 KB, 28 views)
File Type: txt test2.txt (25.0 KB, 32 views)
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Old   July 15, 2011, 12:48
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Laurence R. McGlashan
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I've posted a bug report:

http://www.openfoam.com/mantisbt/view.php?id=251

Keep track of that and I'm sure it will be fixed reasonably soon.
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Old   July 20, 2011, 04:12
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Laurence R. McGlashan
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This has been fixed in OF-2.0.x:

https://github.com/OpenCFD/OpenFOAM-...716d3ed0dcef41
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Old   July 20, 2011, 12:20
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Sunny Karnani
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Very cool. Thanks for the update.
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Old   September 2, 2011, 17:39
Default error message after changes made
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Ryan Johnson
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Hello,
I get this error message after running chemkinToFoam

#0 Foam::error:rintStack(Foam::Ostream&) in "/home/rfj2c/OF/OpenFOAM-2.0.x/platforms/linux64Gcc45DPOpt/lib/libOpenFOAM.so"
#1 Foam::sigSegv::sigHandler(int) in "/home/rfj2c/OF/OpenFOAM-2.0.x/platforms/linux64Gcc45DPOpt/lib/libOpenFOAM.so"
#2 __restore_rt at sigaction.c:0
Segmentation fault

after making the changes to the code I recompiled using ./Allwmake in the /src/ directory

thanks in advance!
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Old   September 3, 2011, 04:49
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What changes to the code did you make? What input files are you running chemkinToFoam on? Where did it fail? You need to give more information.
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Old   September 5, 2011, 16:59
Default Problems with ChemToFoam
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Ryan Johnson
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I changed files by doing the bug fixes exactly as the link above isntructed to do (changed the 10 files as listed above)

I then recompiled the entire directory in the /src/ to make sure that any refrences to these headers would be recompiled.

I then tried again to run the chemkinToFoam and get the segmentation fault error exactly as shown above. I use chemkinToFoam on the attached files.

ChemkinToFoam worked with these two files in the OpenFoam 1.7 release that I am currently using.

Thanks for your help, and sorry about the brevity earlier,
Ryan

##EDIT##
I was able to get it to work when I did ./Allwmake for the entire OpenFOAM environment, some clarification on why this would be needed and not just needed in the /src/ directory would be quite imformative
thanks for your help again!
Attached Files
File Type: txt therm.txt (49.7 KB, 21 views)
File Type: txt comech.txt (6.5 KB, 14 views)

Last edited by RyanJohnson; September 5, 2011 at 17:18.
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Old   September 6, 2011, 04:01
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Laurence R. McGlashan
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Hmm, you'll probably find you only needed to recompile applications/utilities/thermophysical/chemkinToFoam. Did you change anything else in between the above? Glad to hear it worked in any case.
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Old   November 30, 2011, 07:22
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Ayhan Eses
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Dear Foamers,

Firstly, i ran chemFoam at /home/ayhan/OpenFOAM/ayhan-2.0.1/run/tutorials/combustion/chemFoam/gri case

It works without fail.
And it draws graph. ok.



------------------------

Then i used
Code:
chemkinToFoam chem.inp therm.dat reactions thermo
command and i put reactions and thermo files to constant folder.

And i changed to thermophysicalProperties file.
Code:
/*--------------------------------*- C++ -*----------------------------------*\
| =========                 |                                                 |
| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
|  \\    /   O peration     | Version:  2.0.1                                 |
|   \\  /    A nd           | Web:      www.OpenFOAM.com                      |
|    \\/     M anipulation  |                                                 |
\*---------------------------------------------------------------------------*/
FoamFile
{
    version     2.0;
    format      ascii;
    class       dictionary;
    location    "constant";
    object      thermophysicalProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

thermoType      hsPsiMixtureThermo<reactingMixture<gasThermoPhysics>>;

//inertSpecie N2;

chemistryReader foamChemistryReader;

foamChemistryFile "$FOAM_CASE/constant/reactions";

foamChemistryThermoFile "$FOAM_CASE/constant/thermo";


// ************************************************************************* //
Then i use ./Allrun command
It works without fail.
And it draws graph. but..
this time got that picture.



Is there something wrong arrangement? How can i fix that?

and h2 case
without modification


chemkinToFoam & foamChemistryReader
Attached Files
File Type: gz chemfiles.tar.gz (24.4 KB, 12 views)
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Old   September 11, 2013, 08:07
Default help regarding reactionFoam solver .
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sonu
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greeting oll ,

i am relatively new to OF. nowadays i am trying to simulate my case of different species with the reactingFoam solver and m using openFoam 2.2-x . fist i solved the tutorial of counterFlow Flame after that nw i tried to run my case . but in starting one thing which is paining me is what to write in in thermophysical properties file . shown below :

Code:
FoamFile
{
    version     2.0;
    format      ascii;
    class       dictionary;
    location    "constant";
    object      thermophysicalProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

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

inertSpecie N2;

chemistryReader foamChemistryReader;

foamChemistryFile "$FOAM_CASE/constant/reactions";

foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGas";

reaction and thermo.compressible file is there in constant folder of my case .
so can anybody guide me what should i change in the above file marked bold ?


thanks in advance ,

Regards ,
sonu
Attached Files
File Type: zip reactions.zip (322 Bytes, 3 views)
File Type: zip thermo.compressibleGas.zip (1.1 KB, 3 views)
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