Professor Richard West and graduate students Pierre and Fariba attended the 8th U.S. National Combustion Meeting, from May 19-22, 2013 in Park City, UT. The group presented two posters: P. L. Bhoorasingh and R. H. West. Automatic transition state searches for reaction mechanism generation. F. Seyedzadeh Khanshan and R. H. West. Using Reaction Mechanism Generator […]
Thanks to generous sponsorship and help by the Department of Chemical Engineering and the College of Engineering at Northeastern University, the Computational Modeling in Chemical Engineering group was able to host the 31st Regional Conference on Kinetics and Dynamics in January 2013. We had many fantastic contributions from MIT, UMass Amherst, Trinity College, Syracuse University, […]
Members of the CoMoChEng group attended the 2012 AIChE Annual Meeting in Pittsburgh, PA. Pierre Bhoorasingh presented in the Reaction Path Analysis session (read abstract) and Fariba Seyedzadeh Khanshan in the Thermochemical Conversion of Forest/Plant Biomass session (read abstract). Richard West co-chaired another Reaction Path Analysis session (see program), and some of his previous work […]
At the 7th U.S. National Combustion Meeting, Dr. West presented work on the Kinetic Modeling of Methyl Formate Oxidation. (Presentation date: March 21, 2011.) A kinetic model for methyl formate oxidation is generated using our open-source Reaction Mechanism Generator (RMG) software, supplemented with high level quantum calculations and transition state theory (TST). New rate coefficients […]
At the 2011 AIChE Annual Meeting, Prof. West presented work on Automatic Reaction Mechanism Generation with Group Additive Kinetics. The key challenge in making chemical mechanism development predictive is being able to accurately estimate any possible rate coefficient k(T) even if there are no experimental data. Reaction Mechanism Generator (RMG) is an open-source software project […]
At the 2011 AIChE Annual Meeting, Prof. West presented work on multi-scale multi-physics modeling of deposit formation in diesel engine fuel injector nozzles. As well as providing insight into the specific problem of deposit formation in diesel injectors, this work demonstrates an approach suitable for other multi-scale models of chemical engineering systems. Formation of deposits […]