Abstract Performance of trifunctional epoxy polymer namely triglycidyl ether tribisphenol A of ethylene (TGETBAE) as corrosion inhibition for carbon steel in 1.0 M HCl solution was evaluated using experimental (weight loss (WL), electrochemical impedance spectroscopy (EIS), UV–Visible spectroscopy and scanning electron microscope (SEM)) and computational (molecular dynamics (MD) simulations, density functional theory (DFT) and complexation calculations) approaches. The applied techniques (WL and EIS) reveal that the inhibition efficiencies of 10−3 M of TGETBAE reach a maximum of 87.7% and 93% at 298 K, respectively. TGETBAE inhibited the metal corrosion through adsorption mechanism that can be explained using the Langmuir adsorption isotherm. The theoretical studies are in good agreement with experimental results.

中文翻译：

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三官能环氧聚合物作为碳钢在 1.0 M HCl 中的缓蚀材料：MD 模拟、DFT 和络合计算

摘要 使用实验（失重 (WL)、电化学阻抗谱 (EIS)、紫外-可见光谱和扫描电子显微镜 (SEM)) 和计算（分子动力学 (MD) 模拟、密度泛函理论 (DFT) 和络合计算）方法。应用技术（WL 和 EIS）表明，10-3 M TGETBAE 的抑制效率在 298 K 时分别达到 87.7% 和 93%。TGETBAE 通过吸附机制抑制金属腐蚀，吸附机制可以用朗缪尔吸附等温线来解释。理论研究与实验结果吻合良好。