Abstract: The thermodynamic and kinetic models of chemical reactions were constructed based on Python language to study the influence of reaction conditions on the reaction balance and conversion rate of synthetic ammonia reaction, and the results were visualized, providing an open source and efficient computational modeling idea for studying the reaction process of synthetic ammonia. The feasibility of modeling the reaction thermodynamics and kinetics using open source language was explored, which provides reference for the localization of related modeling software. This method can be extended to other reaction systems to construct thermodynamic and kinetic models of different reaction processes and reactors, providing support for reaction mechanism models for chemical process optimization and reactor design.

Key words: thermodynamic model, kinetic model, Python, modeling method