• 专利标题:   Prediction method for conductive polymer and graphene oxide interface adhesion performance, involves constructing conductive polymer model, and obtaining adhesion performance between conductive polymer and graphene oxide.
  • 专利号:   CN113539389-A
  • 发明人:   HU B, BI K
  • 专利权人:   UNIV SOUTHEAST
  • 国际专利分类:   G16C020/90, G16C010/00, G16C020/30
  • 专利详细信息:   CN113539389-A 22 Oct 2021 G16C-020/30 202192 Chinese
  • 申请详细信息:   CN113539389-A CN10850249 27 Jul 2021
  • 优先权号:   CN10850249

▎ 摘  要

NOVELTY - The method involves constructing (Step 10) a conductive polymer model. A graphene oxide model is constructed (Step 20). A conductive polymers model and a graphene oxide system model are combined (Step 30) to obtain an adhesion system model. A molecular dynamics simulation calculation is performed (Step 40) on the adhesion systems model to obtain total potential energy of the conductive polymer-graphene oxide system. A potential energy of a conductivity polymer and potential energy in graphene oxide are calculated (Step 50). An adhesion performance between the conductivity polymer and the graphene oxide is obtained. A compound monomer model is constructed. The conductive polymer model is optimized. USE - Prediction method for conductive polymer and graphene oxide interface adhesion performance. ADVANTAGE - The method obtains the interaction energy of the conductive polymer and the graphene oxide, thus predicting the adhesion performance between the graphene oxide and the conductive polymer. DESCRIPTION OF DRAWING(S) - The drawing shows a flowchart illustrating a prediction method for conductive polymer and graphene oxide interface adhesion performance. (Drawing includes non-English language text) Step for constructing conductive polymer model (Step 10) Step for constructing graphene oxide model (Step 20) Step for combining conductive polymer model and graphene oxide model to obtain adhesion system model (Step 30) Step for performing molecular dynamics simulation calculation on adhesion systems model to obtain total potential energy of conductive polymer-graphene oxide system (Step 40) Step for calculating potential energy of conductive polymer and potential energy in graphene oxide (Step 50)