Study on the molecular dynamics mechanism of extra-heavy oil by catalytic aquathermolysis

Abstract

ABSTRACTThe extra-heavy oil of before and after catalytic aquathermolysis was separated; the properties of resin and asphaltene both before and after the reaction were studied by using molecular weight analysis, elemental analysis, and nuclear magnetic resonance, associated with the chemical molecule simulate dynamics software, Hyperchem 7.5, which studied the molecular dynamics of extra-heavy oil by catalytic aquathermolysis. After the catalytic aquathermolysis, it was found that the viscosity of heavy oil reduced largely, and the H/C rate of heavy oil, resin, and asphaltene increased, the aromaticity decreased, and the average molecular reduced, especially the asphaltene which decreased largely. The molecular energy of asphaltene increased and resin decreased, which showed that the asphaltene central aromatic framework was broken. The size of the resin and asphaltene decreased, and more aggregation of heavy components dispersed in heavy oil, which contributed to the viscosity reduction of extra-heavy oil.