JOURNAL OF SHANDONG UNIVERSITY (ENGINEERING SCIENCE) ›› 2017, Vol. 47 ›› Issue (2): 123-130.doi: 10.6040/j.issn.1672-3961.0.2016.412

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Molecular dynamic simulation on the mechanism of viscosity reduction to asphaltene and resin in heavy oil

CUI Qing1, ZHANG Changqiao1*, XIU Jianxin2, XU Shiming2, LU Lili2   

  1. 1. School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, Shandong, China;
    2. Shandong Bureau of Quality and Technical Supervision, Jinan 250002, Shandong, China
  • Received:2016-11-07 Online:2017-04-20 Published:2016-11-07

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Abstract: To in-depth understand the mechanism of viscosity reducing agent to heavy oil and guide the synthesis in laboratory, the Materials Studio software was used to simulate the molecular dynamics of viscosity reducer synthesised by styrene, octadecyl acrylate and maleic anhydride. The results showed that the viscosity reducing agent could effectively remove the associating system by long straight chains and side chains rich in ester and alkyl group, and then improve the stability of asphaltene and resin. Another quaternary polymer synthesized by styrene, octadecyl acrylate, maleic anhydride and acrylamide and its viscosity reduction effect were further simulated, from which could deduce that the quaternary polymer and could behave better than that ternary one. Thus, this kind of quaternary polymer has been set as the target product in the real lab, and Materials Studio can play an important role in guiding synthesis process.

Key words: resin, asphaltene, Materials Studio, viscosity reducer, molecular dynamic simulation, heavy oil

CLC Number: 

  • TQ311
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