Abstract
This work presents a novel approach to corrosion inhibition through the creation of a groundbreaking hexafunctional phosphorus epoxy resin, namely phosphorus trimethylene dianiline hexaglycidyl (HGTMDAP). This innovative material is synthesized via a two-step process, initiating with a grafting reaction between methylene dianiline and phosphorus trichloride, followed by the addition of epichlorohydrin to yield the hexafunctional resin. The unique structural intricacies of this material were elucidated using advanced microscopic characterization techniques such as FTIR, 1H, and 13C NMR. Furthermore, we dove into the exploration of the anticorrosive efficacy of this novel epoxy resin, specifically for metal, leveraging an array of evaluation methods, including EIS, PDP, isothermal adsorption model, thermodynamics, EFM, and the cutting-edge DFT, MC and MD simulations. To explore surface adsorption mechanism of the medium, comprising the metallic material, HGTMDAP resin, and 1.0 M HCl, it was employed sophisticated techniques such as SEM and EDS. This enabled us to decode the surface structure and chemical composition of the sample, providing us with a deeper understanding of the adsorption process and the mechanics of corrosion prevention. Our findings from the electrochemical tests suggest that an increase in the concentration of HGTMDAP significantly enhances protection ability. Interestingly, EIS demonstrated an impressive inhibition efficiency of 96.3% at the optimal concentration (10− 3 M) of HGTMDAP epoxy resin. Polarization results further corroborated that this advanced macromolecular binder serves as a mixed inhibitor. The Langmuir model, which posits that the epoxy resin forms a defender film on the metal surface, was validated in our study. We also utilized kinetic thermodynamic parameter estimation to further evaluate inhibitor adsorption phenomena. Finally, it was ventured into unchartered territory by describing the electronic and adsorption properties of the HGTMDAP epoxy resin using DFT, MC and MD simulations, paving the way for future research in this domain. Through our innovative approach, we have opened up new possibilities in the field of corrosion inhibition.