Volume 42 Issue 3
Jun.  2025
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DONG Haoan, LI Zhiyong, ZHANG Jinbo, et al.Simulation of action between epoxy resin and solidifier/formation minerals based on molecular dynamics[J]. Drilling Fluid & Completion Fluid，2025, 42（3）：283-289 doi: 10.12358/j.issn.1001-5620.2025.03.001
Citation: DONG Haoan, LI Zhiyong, ZHANG Jinbo, et al.Simulation of action between epoxy resin and solidifier/formation minerals based on molecular dynamics[J]. Drilling Fluid & Completion Fluid，2025, 42（3）：283-289 doi: 10.12358/j.issn.1001-5620.2025.03.001
shu

Simulation of Action between Epoxy Resin and Solidifier/Formation Minerals Based on Molecular Dynamics

doi: 10.12358/j.issn.1001-5620.2025.03.001
  • 1.

    School of Petroleum Engineering, China University of Petroleum, Beijing 102249

  • 2.

    CNPC Great Wall Drilling Engineering Co., Ltd., Beijing 100012

  • Received Date: 2024-12-11
  • Rev Recd Date: 2025-01-26
  • Publish Date: 2025-06-12
    Abstract
  • Studying on the hardening process of epoxy resin and the interaction between epoxy and formation minerals has important theoretical significance for their application in petroleum industry. Studies on epoxy in the past mainly focused on the properties of epoxy resin itself, with its interaction with formations being ignored. To extensively investigate the hardening process of epoxy and the interaction between epoxy and formation minerals, molecular simulation method was used to study the molecules of E51 epoxy resin and several hardening agents. The electrostatic potential and interaction energy between the molecules of epoxy and the molecules of the hardening agents, as well as the interaction energy between the products of the hardening process and the formation minerals, were calculated. It was found that the epoxy groups in the epoxy resin molecules have a significant negative potential, which is −0.060 Hartree/e, while the active hydrogen atoms in the molecules of the hardening agents have significant positive potential, ranging from 0.053 Hartree/e to 0.126 Hartree/e. Moreover, mutual attraction exists between the molecules of the epoxy resin and the molecules of the hardening agents, the energy of the attraction ranges from −0.446 kcal/mol to −29.306 kcal/mol. After crosslinking, the interaction energy between the molecules was reduced to −80.987 kcal/mol to −110.844 kcal/mol. Finally, significant mutual attraction also exists between the crosslinking product of the epoxy resin and formation minerals; the interaction energy between a single epoxy molecule and the calcite mineral in the formation ranges from −49.795 kcal/mol to −173.187 kcal/mol, while the interaction energy between a single epoxy molecule and the dolomite mineral in the formation ranges from −44.604 kcal/mol to −147.307 kcal/mol. These research achievements have provided a theoretical base for the application of epoxy resin in oil and natural gas industry, and the research method adopted can be used in optimizing the design of epoxy resin additives.

     

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