ReaxFF reactive molecular dynamic and density functional theory study on supercritical water gasification of waste hydrofluorocarbons to fuels
Shijie Zhang, Yujie Yu, Rui Huang, Jianyong Yin, Erguang Huo
Topics & Concepts
ReaxFFChemistrySupercritical fluidDissociation (chemistry)MoleculeChemical engineeringWork (physics)Organic chemistryHydrogen bondThermodynamicsEngineeringPhysicsSubcritical and Supercritical Water ProcessesHeat transfer and supercritical fluidsThermochemical Biomass Conversion Processes