Hi,
Short version:
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I am unable to reach convergence with the 'auto' option of function solve(). See python code used with 'tian.xml' mechanism.
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Longer version:
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I am computing 1D adiabatic premixed propagating NH3/H2/air flames to compare the flame speed obtained with various mechanisms.
I have been succesfuly doing so with 6 different mechanisms, found in the litterature, of size ranging from 31 to 59 species. I also have 3 bigger mechanisms I would like to compare, but I observed that the set of computational parameters does not work anymore and no convergence is reached. I am not sure how the mechanism size would impact convergence but all smaller models converged fine so I'm guessing there is something here.
As a minimal example I provide the piece of python code I'm using; along with mechanisms by Okafor (biggest mech with success in convergence) and by Tian (smallest mech with convergence fail). As seen in the command, I tried relaxing the allowed number of steps. I also tried to change the refinement criteria without success. From what I have read in the forum, with the 'auto' option of function solve(), it is no longer relevant to fiddle the time steps and tolerance parameters.
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Do you have an idea on how to converge these mech ?
Thanks for your time,
Kévin
NB : I installed cantera 2.4.0 in a conda 4.9.2 environment