Molecular dynamics simulation of combustion reaction process and products of oxygen-containing functional groups in coal based on Machine Learning Potential
Jinzhang Jia, Yumo Wu, Dan Zhao, Fengxiao Wang, Dongming Wang, Qiang Yang, Yinghuan Xing, Shan Lu
Topics & Concepts
CoalCombustionMolecular dynamicsProcess (computing)OxygenReaction dynamicsMolecular oxygenProcess engineeringChemical engineeringDynamics (music)Biological systemChemistryComputer scienceMaterials scienceBiochemical engineeringComputational chemistryPhysical chemistryEngineeringOrganic chemistryMoleculePhysicsBiologyOperating systemAcousticsCoal Properties and UtilizationCoal and Coke Industries ResearchHydrocarbon exploration and reservoir analysis