Understanding lignin gasification in supercritical water using reactive molecular dynamics simulations
Xiangyang Liu, Tao Wang, Jianchun Chu, Maogang He, Qibin Li, Ying Zhang
Topics & Concepts
Supercritical fluidLigninReaxFFMolecular dynamicsChemistryDimerChemical engineeringSupercritical fluid extractionMoleculeOrganic chemistryComputational chemistryEngineeringInteratomic potentialSubcritical and Supercritical Water ProcessesLignin and Wood ChemistryThermochemical Biomass Conversion Processes