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June 30, 2010, 05:39 |
Adding species to chemkin
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#1 |
Senior Member
Rickard
Join Date: May 2010
Location: Lund, Skåne, Sweden
Posts: 143
Rep Power: 16 |
I add a species from the library. e.g. c12h26 from:
$WM_PROJECT_DIR/src/thermophysicalModels/liquids/C12H26 to my thermophysicalProperties thermoType hPsiMixtureThermo<reactingMixture<gasThermoPhysics >>; //CHEMKINFile "$FOAM_CASE/chemkin/chem.inp"; CHEMKINFile "$WM_PROJECT_DIR/src/thermophysicalModels/liquids/C12H26" CHEMKINThermoFile "~OpenFOAM/thermoData/therm.dat"; inertSpecie N2; //liquidComponents ( C7H16 ); liquidComponents (N-DODECANE); liquidProperties { // C7H16 C7H16 defaultCoeffs; N-DODECANE N-DODENCANE defaultCoeffs; } Then I want to create my own global reaction, similar to chem.inp ELEMENTS H O C N AR END SPECIE C12H26 O2 N2 CO2 H2O END REACTIONS C12H26 + 18.5O2 => 12CO2 + 13H2O 5.00E+8 0.0 15780.0! 1 FORD / C7H16 0.25 / FORD / O2 1.5 / END However, could someone please explain these inputs for me: 5.00E+8 0.0 15780.0! 1 FORD / C7H16 0.25 / FORD / O2 1.5 / END I guess they are for the activation energy and reaction rates and similar, FORD i dont know however. Is it possible to find these values online? I got the therm.dat values for C12H26 at burcats homepage. Thx R |
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July 1, 2010, 10:57 |
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#2 |
New Member
Joseph Urich
Join Date: Mar 2009
Location: Pittsburgh, PA
Posts: 21
Rep Power: 17 |
Hi Richard,
5.00E+8 would be the pre-exponential constant, 0.0 is the temperature exponent, 15780.0 is the activation energy. FORD / O2 1.5 / is the Forward ORDer for O2. So the forward reaction is set to be a function of [O2]^1.5. If it is omitted, the order defaults to 1.0 (i.e. an elementary reaction). These are Chemkin style commands, so a google search for 'Chemkin FORD' would probably get you more information |
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March 13, 2017, 11:09 |
coefficient
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#3 |
New Member
Join Date: Feb 2017
Posts: 3
Rep Power: 9 |
hello Richard,
I am trying to do sprayFoam with n-dodecane as well. I am just wondering if you found out what these coefficients are. I had a hard time finding these numbers. Thanks a lot for your help and you have a great day! |
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August 16, 2018, 11:34 |
Chemkin Resources
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#4 |
New Member
Eric Bringley
Join Date: Nov 2016
Posts: 14
Rep Power: 10 |
This is Chemkin format for inputing reaction rates. You should be able to find what you need regarding Chemkin Input here:
http://akrmys.com/public/chemkin/CKm_inp.html.en https://www3.nd.edu/~powers/ame.60636/chemkin2000.pdf |
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