Ming-Yuan Wang

Molecular Dynamics Study of CO2-Induced Transfer of Crude Oil Components: Roles of Molecular Structure, Cohesion, and Mixture Composition

Molecular dynamics simulations examined the roles of molecular structure, thermodynamic compatibility, intermolecular association, and mixture composition in the supercritical CO2 extraction of ten crude oil components at 363.15 K and 15 MPa. Single-component extraction ratios ranged from 80.70% for n-hexane to 5.85% f...