Gas generation mechanisms of bituminous coal under shear stress based on ReaxFF molecular dynamics simulation
Jin Wang, Quanlin Hou, Fangui Zeng, Guang‐Jun Guo
Topics & Concepts
ReaxFFRadicalCoalMolecular dynamicsBituminous coalChemistryShear (geology)Shear stressMacromoleculeChemical physicsMaterials scienceChemical engineeringComputational chemistryOrganic chemistryComposite materialEngineeringBiochemistryInteratomic potentialCoal Properties and UtilizationThermochemical Biomass Conversion ProcessesCombustion and Detonation Processes