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 [...]