search

libantioch / antioch

C++ Chemical Kinetics, Thermodynaimics, and Transport Library
https://libantioch.github.io/
Other
22 stars 17 forks source link

XML Parsing: Reaction Order Cross-Compatibility with Cantera #183

Open pbauman opened 8 years ago

pbauman commented 8 years ago

@SylvainPlessis went ahead and used ChemKin keywords (ford/rord) for the reaction orders, but looks like Cantera might use a keyword orders? Not clear yet because I haven't found an example, just took a quick look at their code. Once we see what their keyword is, we should support is in our XML parser.

pbauman commented 6 years ago

Just to note: Cantera discusses this a bit here (at the bottom of the page). So, in theory, we ought to be able to take one of @rebeccaem's examples in #163 and friends and use Cantera's ck2cti utility to go Chemkin -> cti (Cantera's format) and then their Python-based ctml_writer to convert cti -> XML and then see what they're format will be.

pbauman commented 6 years ago

Looks like Cantera has several inputs in their test/data directory where they're unit testing their ck2cti capability. So we ought to be able to leverage that to see what XML comes out (or maybe they have some converted XMLs in that directory).