Seminars
"A 21st Century Approach to Chemical Kinetics"
Professor William H. Green
Department of Chemical Engineering
Massachusetts Institute of Technology
When: Thursday, October 12, 2006
Time: 2:30 PM to 3:30 PM
Where: 1070 Duncall Hall
Abstract:
A major goal of chemical kinetics is to develop computer models detailed enough and accurate enough to assist in design of new processes and products. This is a very challenging problem for several reasons, even for relatively well-characterized systems:
1) it is hard to construct and solve reacting flow simulations involving complex chemistry, both because the chemistry is very complicated and because there are very serious numerical issues. These challenges are particularly serious for multi-phase systems and for systems where the fundamental thermochemistry is not well understood (e.g. most systems involving metal atoms.)
2) it is very difficult to refine these models using experimental data – seldom is there a single unique model consistent with all the available experimental data, uncertainties are hard to quantify, and it is hard to identify and use all the relevant experimental data.
3) it is hard to document, much less test, all the assumptions and approximations made in steps 1 & 2 - so typically no one knows why two models disagree with each other or with experiment, nor what should be done to improve the situation.
Despite all these challenges, it is now becoming possible to construct predictive chemical kinetic models suitable for design applications, and to qualitatively improve the way kinetics research is done by the community. A vision for the future, and some practical steps already being taken, will be outlined.
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