How to locate for components causing the largest weighted error

[Reginaldo Gonçalves Leão Junior]

Hi guys.
I'm working on a system to study biomass gasification. I'm currently using a simplified version of the BioPox (https://doi.org/10.1016/j.fuel.2019.01.093) mech, but I'm getting the following error.

Traceback (most recent call last):01036 s....

  File "C:\Users\profr\OneDrive\Trabalho\IFMG\IFMG_ARCOS\Pesquisa\Projetos_2023\GaseificacaoFornoCal\SimulacaoHidrogenio\SimulacaoCantera\ModeloDeExperimento\experiment_air.py", line 81, in <module>

    main()

  File "C:\Users\profr\OneDrive\Trabalho\IFMG\IFMG_ARCOS\Pesquisa\Projetos_2023\GaseificacaoFornoCal\SimulacaoHidrogenio\SimulacaoCantera\ModeloDeExperimento\experiment_air.py", line 75, in main

    sim.advance(sim.time + dt_max)

  File "build\\python\\cantera\\reactor.pyx", line 1518, in cantera.reactor.ReactorNet.advance

cantera._utils.CanteraError:

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

CanteraError thrown by CVodesIntegrator::integrate:

CVodes error encountered. Error code: -4

At t = 0.151127 and h = 1.61901e-09, the corrector convergence test failed repeatedly or with |h| = hmin.

Components with largest weighted error estimates:

75: -4318.123494293667

13: 0.010918226482878093

8: -0.0034893853824871446

30: -0.0012800477631049595

69: -0.0009306050321336147

65: -0.0003482245451281913

85: -0.00021741906260826173

23: 8.672662418482195e-05

73: -5.503503089569299e-05

10: -4.657265097335059e-05

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

I believe that the error is due to some inconsistency in the kinetic parameters of the mechanism, but as yaml file  has 150 reactions (in its reduced version), it seems to me an arduous task to carry out manually. 

Is there any way of inspecting the run to investigate which reaction(s) might be causing the problems?

All files needed to reproduce the error are attached.

Cantera version is 3.0.0 on Win11.

Use  "python experiment_air.py comp_input1.json" to run.

Thanks in advance! 

ORCID

CURRÍCULO LATTES

[Mikael Larsen]

Hi Reginaldo

The components refer to the network and you get the name by calling 

print(net.component_name(75)) - if the name of your network is "net"

Good luck

Mikael

[Reginaldo Gonçalves Leão Junior]

Hello Mikael.

Thank you for your help.
After several improvements to the mechanism, the problem has been solved.

Best regards.

R. Leão Jr.