Jones Lindstedt Mech

[Alan Kong]

Hi everyone,

Just wondering if anyone know where I can get hold of the chemkin format mechanism files of Jones Lindstedt 4 step CH4 O2 kinetic mechanism

I tried finding online and everyone I see uses different values for A, b and Ea.

Cheers

Alan

[Alan Kong]

Hi guys,

I had found the JL and another modified JL scheme for oxy fuel on this website: 

http://www.cerfacs.fr/cantera/mechanisms/meth.php

However, I am encountering some errors when running these cti and xml files on a 1D simulations.

C:\Users\AlanKong-PC\Desktop\Simulation\1D Flame Calculations>diffusion_batch_test.py

Traceback (most recent call last):

  File "C:\Users\AlanKong-PC\Desktop\Simulation\1D Flame Calculations\diffusion_batch_test.py", line 57, in <module>

    gas = ct.Solution(vz_mech, 'JL_R')

  File "cantera\base.pyx", line 26, in cantera._cantera._SolutionBase.__cinit__ (interfaces\cython\cantera\_cantera.cpp:6758)

  File "cantera\base.pyx", line 75, in cantera._cantera._SolutionBase._init_cti_xml (interfaces\cython\cantera\_cantera.cpp:7365)

RuntimeError:

***********************************************************************

CanteraError thrown by Kinetics::addReaction:

Reaction orders may only be given for irreversible reactions

***********************************************************************

It seems that reaction orders can only be given for irreversible reactions. How do I go about implement it?

Cheers

Alan

[Alan Kong]

[Ray Speth]

Alan,

The problem in FRASSO.cti is the reaction:

reaction( "H2 + 0.5 O2 <=> H2O", [8.03000E+16, -1.0, 40000],
          order = " H2:0.3  O2:1.55 ")

For reversible reactions, Cantera computes the reverse rate constants from the forward rate constants and the equilibrium constant. This is true when the reaction orders correspond to the stoichiometric coefficients. Your options are:

1) Make the reaction irreversible and ignore the reverse reaction, if the reverse reaction is not particularly important.

2) Add an irreversible reaction in the opposite direction, and calculate values for the Arrhenius parameters and reaction orders that are consistent with equilibrium.

Regards,

Ray