Why use this?

RMG-Py is designed to generate reaction mechanisms automatically by exploring reaction networks for a defined chemical system. It combines reaction-family rules, thermodynamics, kinetics estimation, and rate-based network expansion to build detailed mechanisms for fuels and chemical processes.

Reaction engineers choose RMG-Py when they need to develop or extend kinetic mechanisms for combustion, pyrolysis, oxidation, and complex hydrocarbon chemistry. It is particularly valuable when experimental mechanisms are incomplete or when engineers need to screen reaction pathways and species under new operating conditions.

Key Features

• Automatic chemical reaction-mechanism generation
• Reaction-network exploration using reaction families and rate rules
• Thermodynamic and kinetic property estimation
• Combustion, pyrolysis, and oxidation applications
• Python-based, extensible workflow for mechanism development