Other projects:

Estimation of Reactions Rates

P-Dependence & Model Construction

Model Reduction and Numerical Toolkit

Adaptive Chemistry for Reacting-Flow Simulations

UV Absorption/ Laser Photolysis

HCCI Engines

Selective Catalysis

Magnetic Fluids as Colloidal Extracant

Automated Pressure Dependence & Kinetic Model Construction
D.M. Matheu, J.Song, Bryan Wong, Sumathy Raman, W.H. Green
Collaboration with: Dr. J.M. Grenda of ExxonMobil Research & Engineering
Portions of the work done in collaboration with:
Prof. J.W. Bozzelli, New Jersey Institute of Technology
Dr. Oleg A. Mazyar, Dr. Henning Richter & Prof. J.B. Howard, MIT
Supported by Department of Energy

Our goal is to be able to simultaneously explore and predict rates for pressure dependent reactions in a manner consistent with the overall kinetic model construction algorithm. In other words, we will use the same rate-based criteria to explore pressure-dependent reactions. For large molecules, it is important to screen pressure dependent pathways in a network. The computer program will be used to generate reaction mechanisms for pyrolysis, combustion, or similar complex gas-phase reaction systems, with accurate handling of interconnected pressure dependence channels.