Molecular dynamic investigation on nitrogen migration during hydrogen production by indole gasification in supercritical water
Shanke Liu, Hui Jin, Yan Yang, Lijun Yu
Topics & Concepts
Supercritical fluidReaxFFChemistryNitrogenHydrogenPyrroleSupercritical water oxidationRadicalDensity functional theoryMoleculeChemical engineeringPhotochemistryOrganic chemistryComputational chemistryHydrogen bondEngineeringSubcritical and Supercritical Water ProcessesThermochemical Biomass Conversion ProcessesEnvironmental remediation with nanomaterials