ArticleACS omega2025
Molecular Simulation Study of the Adsorption Mechanism and Mechanical Properties at the Interface between Epoxy Resin and Phosphogypsum.
Article in ACS omega, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Authors and funding
5 authors.
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Abstract
Phosphogypsum (PG) exhibits poor plasticity and low strength. Enhancing its properties by curing PG with epoxy resin could prove beneficial for applications in road construction, which can address the shortage of natural sand and gravel materials. Understanding the atomic-scale mechanism of PG cured by epoxy resin is crucial to exploring its improved properties. In this study, three interface models involving diglycidyl ether of bisphenol A epoxy resin (DGEBA), diglycidyl ether 4,4'-dihydroxy diphenyl sulfone (DGEDDS), and aliphatic epoxidation of olefin resin (AEOR) with PG were constructed by using the molecular dynamics method. The study investigated the adsorption behavior and mechanical properties of these three interface models between epoxy resins and PG. The results indicated that (1) DGEBA exhibited the highest number of interface hydrogen bonds on the PG surface and AEOR demonstrated the highest adsorption energy with PG due to the strong coordination of the epoxy groups with Ca
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