Investigation of Adsorption and Young’s Modulus of Epoxy Resin–Sand Interfaces Using Molecular Dynamics Simulation

Epoxy resins exhibit outstanding curability, durability, and environmental compatibility, rendering them extensively utilized in the realm of engineering curing. Nevertheless, the current curing mechanism of epoxy-based resins in cohesion with sand remains inadequately elucidated, significantly impeding their applicability within the domain of soil curing. This study employed molecular dynamics simulations to investigate the adsorption behavior of three distinct types of epoxy resins on the sand surface: diglycidyl ether of bisphenol-A epoxy resin (DGEBA), diglycidyl ether 4,4′-dihydroxy diphenyl sulfone (DGEDDS), and aliphatic epoxidation of olefin resin (AEOR). The objective was to gain insights into the interactions between the sand surface and the epoxy resin polymers. The results demonstrated that DGEDDS formed a higher number of hydrogen bonds on the sand surface, leading to stronger intermolecular interactions compared to the other two resins. Furthermore, the mechanical properties of the adsorbed models of the three epoxy resins with sand were found to be relatively similar. This similarity can be attributed to their comparable chemical structures. Finally, analysis of the radius of gyration for the adsorbed epoxy resins revealed that AEOR exhibited a rigid structure due to strong molecular interactions, while DGEDDS displayed a flexible structure owing to weaker interactions.