Water-catalyzed conversion of glucose to small molecules during hydrothermal carbonization: a density functional theory study
Shuai Guo, Weinan Xiao, Deng Zhao, Zhaoyuan Liu, Lidong Liu, Dandan Xu, Xingcan Li, Guangyu Li
Abstract
H 2 O molecules reduced the reaction energy barrier by promoting hydrogen transfer.
Topics & Concepts
Hydrothermal carbonizationCatalysisCarbonizationMoleculeHydrothermal circulationDensity functional theoryChemical engineeringChemistryHydrogenMaterials scienceOrganic chemistryComputational chemistryAdsorptionEngineeringThermochemical Biomass Conversion ProcessesCatalysis for Biomass ConversionSubcritical and Supercritical Water Processes