Category Archives: Presentations

Mechanism Importer at the US National Combustion Meeting

At the 9th US National Combustion Meeting in Cincinnati OH, progress on our mechanism importer project was presented. The presentation was titled “Identification, Correction, and Comparison of Detailed Kinetic Models” (Presentation date: May 20, 2015). Unfortunately we couldn’t attend the meeting in person, but Dr. C. Franklin Goldsmith was kind enough to give the presentation […]

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Flame Chemistry Workshop presentation

At the 2nd International Workshop on Flame Chemistry, Dr. West presented the group’s work on two projects related to automatic mechanism generation. The presentation was titled “Reaction Mechanism Generator: Toward High-Throughput Transition State Calculations, and Interpreting Existing Kinetic Models” (Presentation date: August 4, 2014) Links: View on SlideShare.net.

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CoMoChEng presents research at Kinetics and Dynamics meeting

The Computational Modeling in Chemical Engineering group attended the 32nd Regional Meeting on Kinetics and Dynamics on January 25, 2014. The conference was held at Trinity College in Hartford, CT. The group had a great presence at the meeting with Fariba, Pierre, Belinda and Victor presenting the following four talks: F. Seyedzadeh Khanshan and R.H. West. “Generating […]

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CoMoChEng attends 2013 AIChE Annual Meeting

Professor West and graduate students Pierre, Fariba and Belinda attended the 2013 AIChE Annual Meeting in San Francisco, CA, from November 3-8, 2013. The group authored the following presentations: P.L. Bhoorasingh and R.H. West. Automatic transition state searches for on-the-fly kinetic calculations. Extended abstract (proceedings paper) B. Slakman and R.H. West. Automatic mechanism generation for liquid-phase reaction […]

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Eastern States Section of the Combustion Institute Plenary Lecture

At the 2013 Eastern States Section of the Combustion Institute Fall Technical Meeting Dr. West gave one of the invited plenary lectures, titled “Building detailed kinetic models of combustion chemistry.” (Presentation date: October 15, 2013.) Abstract: Over the last few decades, detailed kinetic models have become integral to combustion research. Comprehensive descriptions of intermediate species […]

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8th International Conference on Chemical Kinetics presentation on Finding Transition States Automatically

At the 8th International Conference on Chemical Kinetics, Dr. West presented the group’s work on Finding Transition States Algorithmically for Automatic Reaction Mechanism Generation. (Presentation date: July 12, 2013.) We presented an automatic procedure to generate the transition state geometries that are required for automatic calculations of reaction rates via TST, in the context of […]

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2011 US Combustion Meeting presentation on Kinetic Modeling of Methyl Formate Oxidation

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 […]

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AIChE 2011 Presentation on Group Additive Kinetics for Automatic Reaction Mechanism Generation

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 […]

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AIChE 2011 Presentation on Multiscale Modeling

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 […]

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