Combining experiment and density functional theory to study the mechanism of thermochemical sulfate reduction by hydrogen in supercritical water
Runyu Wang, Libo Lu, Jia Chen, Jiajing Kou, Hui Jin, Liejin Guo
Topics & Concepts
Supercritical fluidChemistrySulfurHydrogen sulfideDensity functional theorySolvationSulfateSulfideHydrogenGibbs free energyReaction mechanismInorganic chemistryComputational chemistryThermodynamicsMoleculeOrganic chemistryCatalysisPhysicsSubcritical and Supercritical Water ProcessesFree Radicals and AntioxidantsThermochemical Biomass Conversion Processes