The
dissolution of heavy oil represented by Tsingtao vacuum residuum
(VR) in supercritical water (SCH2O) was investigated
with molecular dynamics simulations. The dissolution of oil fractions
in SCH2O is promoted by the electrostatic attraction
with SCH2O but suppressed by the interaction
between oil fractions themselves. According to the simulation started
with the oil-in-water emulsion structure, light fractions of saturates
and aromatics dissolve rapidly in SCH2O. The
dissolution of heavy fractions of resins and asphaltenes, which contain
a large number of benzene, naphthenic, and heterocyclic rings, in SCH2O, however, is suppressed, and can be adjusted
partly by varying the thermodynamic state of water. By the differences
in the solubility of oil fractions in SCH2O
and the operation conditions applied, the mixture of Tsingtao VR and SCH2O exists in the two-phase, oil-in-water emulsion
or the pseudo single-phase structure. In the emulsion structure, the
dissolution of light fractions into the continuous SCH2O surroundings is accelerated, leaving heavy fractions concentrated
in the oil droplets.