Hemicellulose pyrolysis: mechanism and kinetics of functionalized xylopyranose
Leandro Ayarde‐Henríquez, Jacopo Lupi, Stephen Dooley
Abstract
. This analysis shows the decomposition kinetics are contingent on the functionalization specificities and the relative orientation of reacting centers. A relatively simple chemical reactivity and bonding analysis partially support the elaborated thermokinetic approach. These insights hold significance as they imply that many alternative decomposition routes can be quickly, yet accurately, informed in forthcoming explorations of potential energy surfaces of diverse hemicellulose motifs under pyrolysis conditions.
Topics & Concepts
HemicelluloseKineticsPyrolysisChemistryMechanism (biology)Kinetic energyReaction mechanismOrganic chemistryComputational chemistryChemical engineeringCelluloseCatalysisPhilosophyEpistemologyEngineeringPhysicsQuantum mechanicsCatalysis for Biomass ConversionBiofuel production and bioconversionLignin and Wood Chemistry