Abstract

A new class of corrosion inhibitors, namely, pyridine-2,6-diamine (PD) , pyrimidin-2-amine (PA), 6-amino-3,4-dihydropyrimidine-2(1H)-thione (ADT) and ethyl (R)-6-(4-chlorophenyl)-2-mercapto-4-methyl-1,6-dihydropyrimidine-5-carboxylate (EMMD) has been used. The influence of these pyridine-pyrimidine on the dissolution of aluminum in molar HCl has been investigated using impedance spectroscopy as well as potentiodynamic polarization and molecular dynamics simulations. Impedance spectroscopy data show that values of constant phase elements, CPE are decreased. Polarization resistance and protection efficiency increase with increasing concentration of pyridine-pyrimidine derivatives as the electric double layer increased. Electronic equivalent circuit of the investigated system is suggested. Potentiodynamic polarization results showed that these derivatives are mixed-type inhibitors with mainly cathodic action. Molecular simulations are used to simulate the adsorption of pyridine-pyrimidine, on the aluminum oxide substrate.

中文翻译：

---

某些新型嘧啶衍生物作为酸性介质中铝的缓蚀剂的电化学和分子动力学研究

摘要

一类新型的腐蚀抑制剂，即吡啶2,6-二胺（PD），嘧啶-2-胺（PA），6-氨基-3,4-二氢嘧啶-2（1H）-硫酮（ADT）和乙基已使用（R）-6-（4-氯苯基）-2-巯基-4-甲基-1,6-二氢嘧啶-5-羧酸酯（EMMD）。这些吡啶-嘧啶对铝在HCl溶液中的溶解的影响已通过阻抗谱以及电位动力学极化和分子动力学模拟进行了研究。阻抗谱数据表明，恒定相元素CPE的值降低了。随着双电层的增加，极化电阻和保护效率随吡啶-嘧啶衍生物的浓度增加而增加。建议研究系统的电子等效电路。电位动力学极化结果表明，这些衍生物是主要具有阴极作用的混合型抑制剂。分子模拟用于模拟吡啶-嘧啶在氧化铝基质上的吸附。