Abstract

As we all know the Chemkin format is ubiquitous in chemical kinetics simulations. There are a number of reasons that it would be beneficial for Cantera to be able to export into this format from being able to export a modified reaction mechanism for use by the community to being able to use with CFD software.

Motivation

Describe the need for the work being done:

• Output solution object into Chemkin format
• This effects only those that would use such a function
• This adds new functionality to Cantera

Description

My code builds off of soln2ck from Kyle Niemeyer's pyMARS. In it I have added additional functionality of printing notes from a yaml style input file, a few bug fixes, and improved formatting. I use this function to output modified kinetics mechanisms that have been optimized to experiments. I have seen this functionality requested before and think that a unified approach will help more people adopt Cantera in the community.

Alternatives

I have considered outputting to the yaml format; however, this lacks the compatibility that I have mentioned.

References

My version of soln2ck