Development of a Comprehensive and Predictive Reaction Mechanism of Liquid Hydrocarbon Combustion
Final technical rept. 1 Nov 2004-31 Oct 2006
UNIVERSITY OF SOUTHERN CALIFORNIA LOS ANGELES
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Studies were conducted in several relevant areas, including 1 validation of the chemistry and transport models against the extinction of ultra-lean premixed hydrogen-air mixtures, 2 a comprehensive theoretical analysis of the reaction kinetics of carbon monoxide and the hydroxyl radical, 3 a theoretical kinetic study of the decomposition of ethylene oxide 4 a gas-kinetic analysis for the transport properties of long chain molecules in dilute gases, 5 quantum-chemistry, master equation modeling of the unimolecular decomposition of ortho-benzyne, 6 extension of the previously developed hydrogenicarbon model to combustion pressures as high as 600 atm, 7 an updated kinetic mechanism of small-hydrocarbon fuel combustion for use as a kinetic foundation of higher hydrocarbon combustion, and 8 a methodology for kinetic uncertainty propagation. These projects represent the two key ingredients for meeting the overall project objectives a an accurate physico-chemical property database for combustion kinetics, and b a unified and optimized kinetic model for liquid aliphatic and aromatic fuel combustion with quantifiable uncertainties.
- Combustion and Ignition