Abstract In this study, a novel corrosion inhibitor named diethyl(4-methylphenyl)-N-(phenyl) aminomethylphosphonate (AP) has been exploited versus corrosion of carbon steel (CS) in 0.5 M H2SO4. The effect of AP inhibitor on CS corrosion was studied employing potentiodynamic polarization (PDP) curves and electrochemical impedance spectroscopy (EIS) measurements at 298 K. The results showed that AP acted as a mixed inhibitor with predominantly anodic, whose inhibition action was improved by increasing its concentration. The inhibition performance (I.E) was improved by the introduction of halide ion (KI) in the process. The synergistic effect between AP and KI was evaluated by estimating the synergism parameter. The adsorption of AP compound onto carbon steel surface obeyed to Langmuir's adsorption isotherm. Quantum calculations were conducted by employing the Density Functional Theory (DFT). The interaction between the inhibitor and the surface Fe (1 0 0) was assessed by molecular dynamics simulation (MDs).

中文翻译：

---

在 0.5 M H2SO4 中作为碳钢腐蚀抑制剂的氨基酸结构类似物：电化学、协同效应和理论研究

摘要 在这项研究中，一种名为二乙基（4-甲基苯基）-N-（苯基）氨基甲基膦酸酯（AP）的新型缓蚀剂已被用于对抗碳钢（CS）在 0.5 M H2SO4 中的腐蚀。采用动电位极化 (PDP) 曲线和电化学阻抗谱 (EIS) 测量在 298 K 下研究了 AP 抑制剂对 CS 腐蚀的影响。结果表明，AP 作为一种以阳极为主的混合抑制剂，其抑制作用通过增加它的浓度。通过在该过程中引入卤离子（KI）提高了抑制性能（IE）。通过估计协同参数来评估AP和KI之间的协同效应。AP化合物在碳钢表面的吸附服从Langmuir吸附等温线。量子计算是通过使用密度泛函理论 (DFT) 进行的。通过分子动力学模拟 (MDs) 评估抑制剂与表面 Fe (1 0 0) 之间的相互作用。