Feature request - Cantera input file

[xenhua]

It would be great if pMuTT can be extended to directly write the "Cantera" input files (the format of .cti files)

Cantera, being an opensource and a free software, it is supposed to have a more wider user base than the proprietary software Chemkin.

Prof. Vlachos' earlier publication on the microkinetics of wgs reaction is the testimony for this.

[jonlym]

Thank you for the suggestion. We're currently working on this but it's still in its early stages.

Currently, we support writing Nasa, Nasa9, and Shomate polynomials to CTI format but the other aspects need to be developed.

[xenhua]

I am extremely delighted to know of the current developments in pMuTT to write the cantera cti file.

From the same "Kinetic Models" page on ReadTheDocs page, I see that you are also working on a cti format for "OpenMKM". I believe OpenMKM is the MKM tool that you said Vlachos Group will showcase in AIChE 2019 meeting.

How different or same is this .cti file from cantera .cti file.

[jonlym]

The format is more-or-less identical. The largest differences currently is the implementation of coverage effects and surface reactions.

Cantera definitely has a wide range of functionality, which may take a lot of work for pMuTT to have comprehensive coverage.