RMG (Reaction Mechanism Generator)

RMG takes process conditions and starting species and automatically builds a detailed kinetic model of elementary reaction steps, estimating thermodynamic properties and rate coefficients from databases and chemical rules. The output can be run in kinetics and combustion tools such as Cantera, for studies of pyrolysis, oxidation, combustion and catalytic processes. The package includes Arkane for thermochemistry, transition state theory rates and pressure dependence, and the website lets you search the kinetics databases without installing anything. Limitation: installation is through conda on Linux or macOS, and through Docker on Windows.