Molecular dynamics simulation of polycyclic aromatic hydrocarbons solvation behavior in supercritical carbon dioxide under different pressure and temperature
Junying Wang, Meixin Guan, Jie Zhang, Hui Jin
Topics & Concepts
Supercritical carbon dioxideMolecular dynamicsSolvationSupercritical fluidCarbon dioxideMaterials scienceChemistryChemical physicsComputational chemistryOrganic chemistryThermodynamicsMoleculePhysicsPhase Equilibria and ThermodynamicsCatalysis and Oxidation ReactionsIonic liquids properties and applications