[Hasko]

Hello Foamers

I end up in trouble when i am trying to modify my SandiaD tutorial case. I have succesfully managed to run the tutorial with combustion of methane. Now i want to solve the same case just by omit all reactions that involve any oxygen. Hence i end up with methane pyrolysis instead, which is my goal.

The problem arise when go into all the chemkin files to comment out all unwanted reactions. I use the "!" sign to for commenting out which seems to be the appropriate sign according to the below chemkin file (show as an example)


! GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format
! See README30 file at anonymous FTP site unix.sri.com, directory gri;
! WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or
! through http://www.gri.org , under 'Basic Research',
! for additional information, contacts, and disclaimer
ELEMENTS
O H C N AR
END
SPECIES
H2 H O O2 OH H2O HO2 H2O2
C CH CH2 CH2(S) CH3 CH4 CO CO2
HCO CH2O CH2OH CH3O CH3OH C2H C2H2 C2H3
C2H4 C2H5 C2H6 HCCO CH2CO HCCOH N2 AR
C3H7 C3H8 CH2CHO CH3CHO


END
!THERMO
! Insert GRI-Mech thermodynamics here or use in default file
!END
REACTIONS
2O+M<=>O2+M 1.200E+17 -1.000 .00
H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ .83/
O+H+M<=>OH+M 5.000E+17 -1.000 .00
H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
O+H2<=>H+OH 3.870E+04 2.700 6260.00
O+HO2<=>OH+O2 2.000E+13 .000 .00
O+H2O2<=>OH+HO2 9.630E+06 2.000 4000.00
O+CH<=>H+CO 5.700E+13 .000 .00
O+CH2<=>H+HCO 8.000E+13 .000 .00
O+CH2(S)<=>H2+CO 1.500E+13 .000 .00



When i try to run my case after commenting out all unwanted reactions and line of code involving oxygen i end up with the following error message when trying to run my case:

--> FOAM FATAL IO ERROR:
"ill defined primitiveEntry starting at keyword '!' on line 5 and ending at line 1398"

The error point to the the file "thermo.compressibleGasGRI at line 1398".

To me it seems that the sign "!" maybe not is the appropriate one after all? or the procedure i am following is not hte correct one.

Could someone please help explain what i am doing wrong. Any help would be deeply appreciative.

Thank you

[Hasko]

Hello,

I found the error. Adding comments with "!" in the above file was correct but i also assumed that the same sign for commenting was correct in other files such as in "thermo.compressibleGasGRI.orig", which was not correct. Here the correct comment sign is "//"

However, i have now, of course another type of error. When i run my SandiaD tutorial i get the following error:


/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Version: 9
\\/ M anipulation |
\*---------------------------------------------------------------------------*/
Build : 9-b456138dc4bc
Exec : reactingFoam
Date : Feb 16 2022
Time : 11:55:45
Host : "DESKTOP-2ABO40N"
PID : 5561
I/O : uncollated
Case : /home/alex/OpenFOAM/alex-9/run/silane_v2
nProcs : 1
sigFpe : Enabling floating point exception trapping (FOAM_SIGFPE).
fileModificationChecking : Monitoring run-time modified files using timeStampMaster (fileModificationSkew 10)
allowSystemOperations : Allowing user-supplied system call operations

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

Create mesh for time = 0


PIMPLE: No convergence criteria found


PIMPLE: Operating solver in transient mode with 1 outer corrector
PIMPLE: Operating solver in PISO mode


Using LTS
Reading thermophysical properties

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

Reading field U

Reading/calculating face flux field phi

Creating turbulence model.

Selecting turbulence model type RAS
Selecting RAS turbulence model kEpsilon
RAS
{
model kEpsilon;
turbulence on;
printCoeffs on;
Cmu 0.09;
C1 1.44;
C2 1.92;
C3 0;
sigmak 1;
sigmaEps 1.3;
}

Creating thermophysical transport model

Selecting thermophysical transport type RAS
Selecting default RAS thermophysical transport model unityLewisEddyDiffusivity
Creating reaction model

Selecting combustion model EDC
Selecting chemistry solver
{
solver ode;
method TDAC;
}

standardChemistryModel: Number of species = 18 and reactions = 47
Selecting chemistry reduction method DAC


--> FOAM FATAL ERROR:
HO2 not found in table. Valid entries:
18
(
C2H3
N2
C2H
CH3
C2H5
C2H4
C3H8
C2H6
C2H2
CH2(S)
H2
CH4
C
C3H7
CH2
H
AR
CH
)


From function const T& Foam::HashTable<T, Key, Hash>:perator[](const Key&) const [with T = int; Key = Foam::word; Hash = Foam::string::hash]
in file /home/ubuntu/OpenFOAM/OpenFOAM-9/src/OpenFOAM/lnInclude/HashTableI.H at line 126.

FOAM exiting



To me it seems like i have not managed to comment out all reactions or elements involved in combustion reactions. However, i have gone through all the input files in the tutorial and checked for errors several times now and i cant find out where the error lies. I have of course especially checked for errors regarding the specie HO2 since this is the specie it complains about...

When i run the tutorial without chemistry and combustion, the case runs smoothly, but when i run the case with any of the combustion models specified, the case run into the error message i recieve above.

Have someone else experience with this kind of error and can tell me more about what this error message means?

Any help would be deeply appreciated.

Thank you