A molecular dynamics simulation study on solubility behaviors of polycyclic aromatic hydrocarbons in supercritical water/hydrogen environment
Weijing Ding, Jinwen Shi, Wenwen Wei, Changqing Cao, Hui Jin
Topics & Concepts
Supercritical fluidSolubilityChemistryHydrogenCoalHydrogen productionSolvationMolecular dynamicsChemical engineeringMiscibilityEnvironmental chemistryOrganic chemistrySolventComputational chemistryEngineeringPolymerSubcritical and Supercritical Water ProcessesThermochemical Biomass Conversion ProcessesCoal Combustion and Slurry Processing