Detailed kinetics of fossil and renewable fuel combustion

Abstract

Abstract Chemical kinetic reaction mechanisms for modern combustion systems are described, including historical highlights and key developments from the past 50 years and evolution of kinetic modeling capabilities up to the present. Fundamental chemical principles, including fuel molecular structure, thermochemical limitations, and kinetic reaction pathways are all included in the discussions. Combustion kinetics of fuel classes ranging from alkanes, olefins, alcohols, aromatics, cyclic paraffins, furans and alkyl esters are each described in detail, showing how those classes influence their combustion properties. Models to describe fuels derived from petroleum and from biomass are included, and the similarities and differences in their combustion chemistries are outlined. Basic concepts of chain branching and propagation are illustrated and methods of including chain reaction features in reaction mechanisms are employed and differences in chain reaction characteristics of models for different fuels are discussed. Computational features of these kinetic models are outlined.