2010 Annual Meeting
(153g) Building Models of Liquid Phase Kinetics and Separation: Hydrocarbon Autoxidation
Authors
West, R. H. - Presenter, Northeastern University
Green, W. H. - Presenter, Massachusetts Institute of Technology
Jalan, A. - Presenter, Massachusetts Institute of Technology
We present new methods for automatically generating and solving detailed kinetic models for liquid phase reactive systems, including solvation thermodynamics and diffusion kinetics. We also model phase separation of the reaction products. We further apply these methods to the autoxidation of a diesel fuel surrogate to investigate deposit formation.