Chemical kinetic models are powerful and valuable tools, widely applied in the chemical industry. However, constructing a reliable model is often a very difficult and time-consuming process. Kinetic models of complex chemistries are typically characterized by large networks that involve thousands of species and elementary reactions, note Sergio Vernuccio and Linda J. Broadbelt of Northwestern Univ. For this reason, researchers in the field of computer-assisted chemistry have been focusing on automated generation of reaction networks over the past decades.
In the August AIChE Journal Perspective article “Discerning Complex Reaction Networks Using Automated Generators,” Vernuccio and Broadbelt review the current applications of kinetic network generators...
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