Highly durable macromolecular epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl: Computational supported experimental studies

Abstract The purpose of present study is in the direction of development of an anticorrosive coating formulation of high durability for carbon steel corrosion in 3 wt% NaCl medium. The formulation comprises of a macromolecular epoxy coating (DGEDDS‐MDA) based bisphenol S diglycidyl ether (DGEDDS) cured with a methylene dianiline (MDA). The formulation was characterized by FT‐IR spectroscopy method. Performance of the epoxy coating was represented using PDP and EIS approaches. The formulation acts as effective anticorrosive coating for long durability (180 days). Surfaces of the specimens before and after 180 days exposure to UV radiation were examined using SEM. PDP, SEM, and EIS studies showed that DGEDDS‐MDA acted as highly durable and effective anticorrosive formulation. Results also showed that the formulation acts as interface type inhibitor and its presence enhances the polarization resistance ( R p ) value. DFT study suggests that the formulation DGEDDS‐MDA possesses strong ability to interact with metal surface through its several electron rich centers. MD and MC simulations showed that studied formulation effectively adsorb on the substrate (metallic surface). Results of EIS, PDP, and SEM studies (experimental) were well‐supported by DFT, MD, and MC (computational) simulations.

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