Computational Modeling
in Chemical Engineering

Detailed Kinetic Modeling

Welcome to CoMoChEng – Dr. Richard West’s Computational Modeling in Chemical Engineering research group at Northeastern University, focusing on chemical kinetics.

The primary focus of our research is the development of detailed microkinetic models for complex reacting systems, like combustion, heterogeneous catalysis, and bio-fuel processing.

Our approach is to automate the discovery of reaction pathways, and the calculation of key parameters using ab initio quantum chemistry calculations, and novel machine learning techniques.

These kinetic models will link to multi-scale models of the reactor systems so that the overall process can be understood and optimized as a whole.

This approach towards microkinetic model development will then contribute to the optimization and understanding of catalytic processes, leading to catalyst design and discovery, as well as combustion processes, leading to safer and greener fire suppressants, refrigerants, and fuels.

Richard H. West, Ph.D.
Associate Professor
Department of Chemical Engineering, 301CN
360 Huntington Avenue,
Boston, MA 02115 USA

Office: 226 Cullinane Hall
Phone: (617) 373 5163