Diffusion coefficients of polycyclic aromatic hydrocarbons in supercritical carbon dioxide: A molecular dynamics simulation study
Junying Wang, Ke Tian, Yongguang Li, Weizuo Wang, Hui Jin
Topics & Concepts
Supercritical carbon dioxideSupercritical fluidMolecular dynamicsDiffusionCarbon dioxideChemistryChemical physicsEnvironmental chemistryComputational chemistryMaterials scienceOrganic chemistryThermodynamicsPhysicsPhase Equilibria and ThermodynamicsAdsorption, diffusion, and thermodynamic properties of materialsZeolite Catalysis and Synthesis