交联愈合剂/环氧树脂界面相容性分子动力学研究

Molecular Dynamics Research on Interfacial Compatibility of Cross-linked Healing Agent/Epoxy Resin

摘要:

为从分子水平分析紫外光固化过程中愈合剂修复环氧树脂基复合材料断裂面的微观机制，采用分子动力学方法研究了交联愈合剂/环氧树脂界面相的微观结构、相互作用能、力学性能和分子间径向分布函数。结果说明：交联愈合剂/环氧树脂的界面相厚度、相互作用能、拉伸模量z分量分别约为环氧树脂/环氧树脂的88.5%、85%和80%，表明交联愈合剂和环氧树脂基体相容性较好，其原因在于交联愈合剂H原子与环氧树脂基体O原子间的强氢键相互作用以及交联愈合剂C、O原子与环氧树脂基体C、O原子间的强范德华力相互作用。

Abstract:

In order to analyze the micro mechanism of healing agent repairing the fracture surface of epoxy resin matrix composites-during ultraviolet(UV) curing at the molecular level, the microstructure, interaction energy, mechanical properties and intermolecular radial distribution function of the interfacial phase of cross-linked healing agent/epoxy resin are studied by molecular dynamics method. The results show that the interfacial phase thickness, interaction energy and tensile modulus zcomponents of the cross-linked healing agent/epoxy resin are about 88.5%, 85% and 80% of that of the epoxy resin/epoxy resin, respectively, which indicates that the cross-linked healing agent has good compatibility with the epoxy resin matrix. The reason lies in the strong hydrogen bond interaction between H atoms of cross-linked healing agent and O atoms of epoxy resin matrix, and the strong Van der Waals force interaction between C and O atoms of cross-linked healing agent and C and O atoms of epoxy resin matrix.