Study on the Molecular Dynamics Mechanism of Extra-Heavy Oil by
Catalytic Aquathermolysis

doi:10. 3863/j. issn. 1674 – 5086. 2013. 05. 022

Abstract

Abstract:

The extra-heavy oil before and after catalytic aquathermolysis were separated，and the properties of resin and
asphaltene both before and after reaction were studied by using molecular weight analysis（VPO），nuclear magnetic resonance（
NMR），and elemental analysis（EL）. The chemical molecule simulating dynamics software Hyperchem 7.5 was used
in study of the molecular dynamics of extra-heavy oil by catalytic aquathermolysis. After the catalytic aquathermolysis，we
found that the viscosity of heavy oil reduced largely，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 the asphaltene central aromatic framework were broken. The size of resin
and asphaltene decreased，and more aggregation of heavy components dispersed in heavy oil which contribute to the viscosity
reduction of extra-heavy oil.

Key words: extra-heavy oil, viscosity, aquathermolysis, molecular dynamics, mechanism

Wu Chuan, Su Jianzheng, Zhang Rusheng, Zhang Zuguo, Long Qiulian. Study on the Molecular Dynamics Mechanism of Extra-Heavy Oil by
Catalytic Aquathermolysis[J]. 西南石油大学学报(自然科学版), DOI: 10. 3863/j. issn. 1674 – 5086. 2013. 05. 022.

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