The non-isothermal thermal decomposition evolution of the Fushun oil shale kerogen based on ReaxFF molecular dynamics simulation
Wang Xinmin, Wang Qing, Shuo Pan, Da Cui, Shipeng Sun, Chunlei Wu, Hongyun Chang
Topics & Concepts
KerogenReaxFFOil shalePyrolysisIsothermal processChemistryChemical engineeringThermal decompositionMolecular dynamicsMaterials scienceMineralogyOrganic chemistryThermodynamicsSource rockGeologyComputational chemistryPaleontologyInteratomic potentialEngineeringStructural basinPhysicsPetroleum Processing and AnalysisHydrocarbon exploration and reservoir analysisThermochemical Biomass Conversion Processes