The reactions of 2-furfuryl alcohol with hydrogen atom: A theoretical calculation and kinetic modeling analysis
Lili Xing, Yunrui He, Jinglan Wang, Liuchao Lian, Zhanjun Cheng, Xuetao Wang, Mengjie Liu
Topics & Concepts
ChemistryReaction rate constantFurfuryl alcoholHydrogen atom abstractionFuranMethyleneKeteneKinetic isotope effectComputational chemistryTransition state theoryThermodynamicsPhysical chemistryCombustionHydrogenKineticsOrganic chemistryAtomic physicsDeuteriumCatalysisQuantum mechanicsPhysicsThermochemical Biomass Conversion ProcessesBiodiesel Production and ApplicationsAdvanced Combustion Engine Technologies