This study reports the evaluation of the anticorrosive performance of two macromolecular aromatic epoxy resins (ERs), namely, tetra glycidyl of ethylene dianiline (TGEDA) and hexaglycidyl Tris (p-ethylene dianiline) phosphoric triamide (HGEDPAT) and their polymer composite reinforced with Zinc for copper corrosion in 3% NaCl using the computational and experimental analyses. Electrochemical results showed that HGEDAPT cured with methylene dianiline (MDA) showed better protection efficiency with optimum corrosion current density (i_corr) value of 2.0 μ cm⁻² and the polarization resistance (R_p) value of 17.00 kΩ·cm² than that of TGEDA-MDA having i_corr value of 2.4 μ cm⁻² and the R_p value of 15.24 kΩ·cm². The anti-corrosive effect of TGEDA-MDA and HGEDAPT-MDA was evaluated in the presence of 5% zinc (Zn). Experimental results demonstrate that the presence of 5% of zinc in TGEDA-MDA and HGEDAPT-MDA formulations significantly enhanced their protection ability. The anticorrosive effect of the different formulations followed the order: ER1 (TGEDA-MDA) (potentiodynamic polarization (PDP); 90% and electrochemical impedance spectroscopy (EIS) 92%) < ER2 (HGEDAPT-MDA) (PDP; 92% and EIS 93%) < ER3 (TGEDA-MDA-5%Zn) (PDP; 96% and EIS 97%) < ER4 (HGEDAPT-MDA-5%Zn) (PDP; 97% and EIS 98.5%). Density functional theory (DFT) study revealed that ER1 and ER2 interact with the metallic surface using donor-acceptor interactions in which electron rich centers acted as most favorable sites for the interactions. Molecular dynamics (MD) simulations studies suggest that ER1 and ER2 acquire the flat or horizontal orientations and their orientations on metallic surface are largely influenced by the presence of zinc. Different experimental and computational studies are in good agreement.

这项研究报告评估了两种大分子芳族环氧树脂（ER）的防腐性能，即乙二苯胺的四缩水甘油基（TGEDA）和六缩水甘油基的Tris（对乙二苯胺）磷酸三酰胺（HGEDPAT）及其由锌增强的聚合物复合材料通过计算和实验分析得出在3％NaCl中的铜腐蚀。电化学结果表明，用亚甲基二苯胺（MDA）固化的HGEDAPT具有更好的保护效果，最佳腐蚀电流密度（i _corr）值为2.0μcm ^-2，极化电阻（R _p）值为17.00kΩ·cm ²。 TGEDA-MDA具有我_更正件的2.4μ厘米值^-2和R _p值为15.24kΩ·cm ²。在存在5％锌（Zn）的情况下评估了TGEDA-MDA和HGEDAPT-MDA的防腐蚀作用。实验结果表明，TGEDA-MDA和HGEDAPT-MDA配方中存在5％的锌可显着增强其保护能力。不同配方的防腐效果按以下顺序排列：ER1（TGEDA-MDA）（电位动力学极化（PDP）； 90％和电化学阻抗谱（EIS）92％）<ER2（HGEDAPT-MDA）（PDP; 92％和EIS 93％）<ER3（TGEDA-MDA-5％Zn）（PDP; 96％和EIS 97％）<ER4（HGEDAPT-MDA-5％Zn）（PDP; 97％和EIS 98.5％）。密度泛函理论（DFT）研究表明，ER1和ER2使用供体-受体相互作用与金属表面相互作用，其中富电子中心充当了相互作用的最有利部位。分子动力学（MD）模拟研究表明，ER1和ER2具有平坦或水平方向，并且它们在金属表面上的方向在很大程度上受到锌的影响。不同的实验和计算研究非常吻合。