Author Archives: rwest

Congratulations, Belinda!

Dr. Belinda Slakman became the third PhD to graduate from the CoMoChEng group! She defended her thesis, “New Domains in Automatic Mechanism Generation”, on June 15th, 2017. Belinda is now working for Kyulux in Boston, MA.

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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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Undergraduate Research Opportunities

On September 15, 2014, the CoMoChEng lab participated in the Northeastern University College of Engineering Undergraduate Research Fair. We have many opportunities for undergraduate researchers at all levels. The flyer above has “Programmers” writ large, but most of our many successful researchers started with no programming experience, and many of our projects will not require […]

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CoMoChEng at the Combustion Symposium

Richard, Pierre, and Fariba are in San Francisco this August for the 35th International Symposium on Combustion. The Computational Modeling in Chemical Engineering group is presenting four posters on Wednesday. If you’re at the conference, you should come and check them out! Our graphical abstracts are below. Contact us for the full posters. RMG-Py: the […]

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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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NSF Grant to identify and resolve discrepancies in kinetic models

ChE Assistant Professor Richard West was awarded a $140K NSF Grant to “Identify and resolve discrepancies in kinetic models of hydrocarbon combustion“. Computational kinetic modeling of combustion chemistry has made significant progress in recent decades. Dozens of recent models, which describe tens of thousands of simultaneous reactions between thousands of intermediate species, are capable of […]

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Congratulations Belinda!

CoMoChEng graduate student Belinda Slakman successfully defended her PhD thesis proposal this spring. Belinda’s presentation, “Using Reaction Mechanism Generator (RMG) to study complex liquid-phase systems”, was held on April 11, 2014.  Well done Belinda! The CoMoChEng group now officially has three PhD candidates.

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ACS PRF Doctoral New Investigator Grant

In 2013 we were awarded a $100k Doctoral New Investigator (DNI) Grant by the American Chemical Society Petroleum Research Fund. In January 2014 we began work on the project, titled “Transition-State Prediction for High-Throughput Calculation of Accurate Chemical Reaction Rates”. Even conventional engine designs require hundreds of hours of costly tuning to optimize, for each […]

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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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