Huang, Yiran Zhong, Cheng Lin, Hai Xiang Huang, Jing Additional mechanistic insights gleaned from DFT calculations on the kinetics of key elementary reaction steps will also be presented, as well as a few thoughts on the significant contributions of Jim Franz to this area of free radical chemistry.« lessĪligning Metabolic Pathways Exploiting Binary Relation of Reactions. In this presentation, we will discuss our recent investigations of the fundamental pyrolysis pathways of model compounds that represent key substructures in the lignin component of woody biomass withmore » a focus on molecules representative of the dominant beta-O-4 aryl ether linkages. In particular, an improved understanding of thermochemical reaction pathways involving free-radical intermediates has arisen from detailed experimental kinetic studies and, more recently, advanced computational investigations. Knowledge of the reactivity of these complex materials has been advanced through fundamental studies of organic compounds that model constituent substructures. woody biomass) organic energy resources have received considerable attention as possible sources of liquid transportation fuels and commodity chemicals. Probing Complex Free-Radical Reaction Pathways of Fuel Model CompoundsĭOE Office of Scientific and Technical Information (OSTI.GOV)īuchanan III, A C Kidder, Michelle Beste, Arianaįossil (e.g.
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