Investigation of recycled phenol effects on supercritical water gasification of coal using ReaxFF MD simulation
Huifang Feng, Jingli Sun, Zhenqun Wu, Hui Jin, Liejin Guo
Topics & Concepts
ReaxFFSupercritical fluidPhenolChemistryMolecular dynamicsCoalCharChemical engineeringDecompositionCoal gasificationComputational chemistryOrganic chemistryInteratomic potentialEngineeringSubcritical and Supercritical Water ProcessesEnvironmental remediation with nanomaterialsThermochemical Biomass Conversion Processes