This scheme was provided in CHEMKIN II format and includes the directive REACTIONS NONCON for the surface reactions.
From what I understand, this means that CHEMKIN does not check for surface site balance. Meaning that the number of sites is not constant, and certain reactions can create/destroy sites.
To convert it to YAML format, I had to comment the NONCON directive.
Therefore, when I try to run it in Cantera (python), I get the error of "Number of surface sites not balanced in reaction" for several reactions.
Can this check be de-activated?
I searched in the user group and in the github issues and the only reference to this topic I found is when the enforcement was implemented (https://github.com/Cantera/cantera/issues/412).
Possible Solutions
This option could be added in the phase definition in the YAML file?
Abstract Hello, I am trying to simulate CVI from hydrocarbons using the scheme from Lacroix et al. (https://www.sciencedirect.com/science/article/pii/S0008622309005636).
This scheme was provided in CHEMKIN II format and includes the directive REACTIONS NONCON for the surface reactions. From what I understand, this means that CHEMKIN does not check for surface site balance. Meaning that the number of sites is not constant, and certain reactions can create/destroy sites.
To convert it to YAML format, I had to comment the NONCON directive. Therefore, when I try to run it in Cantera (python), I get the error of "Number of surface sites not balanced in reaction" for several reactions.
Can this check be de-activated? I searched in the user group and in the github issues and the only reference to this topic I found is when the enforcement was implemented (https://github.com/Cantera/cantera/issues/412).
Possible Solutions
This option could be added in the phase definition in the YAML file?
Thanks! Francisco