This study presents synthesis of environmentally benign corrosion inhibitors, hydroxy acetophenone derivative namely, N′-(1-(2-hydroxyphenyl) ethylidene) acetohydrazide (ATOH), N′-(1-(2-hydroxyphenyl) ethylidene) benzohydrazide (BZOH), 2-(1-(2-hydroxyphenyl) ethylidene) hydrazine-1-carbothioamide (TSCOH) and N′-(1-(2-hydroxyphenyl) ethylidene) hydrazinecarbothiohydrazide (TCBOH) and full investigation of their protecting ability against corrosion of MS in 1 M HCl medium. A variety of electrochemical experimental techniques viz., electrochemical impedance spectroscopy, and potentiodynamic polarization coupled with different microscopic techniques viz., scanning electron microscopy, atomic force microscopy, and x-ray photoelectron spectroscopy were run to evaluate the corrosion resistive behaviour of inhibitors. The surface feature of mild steel was further analysed by measuring contact angle in different electrolytic solutions. Furthermore, these wet-chemical experimental outcomes are well complemented from results analysed from ab initio DFT study and MD simulation. Furthermore, the MD simulation outcomes helped in visualization of interaction and thereby adsorption of inhibitors on Fe (110) surface.

这项研究提出了环境友好型缓蚀剂的合成，即羟基苯乙酮衍生物，即N'-（1-（2-（羟基苯苯基）亚乙基）乙酰肼（ATOH），N'-（1-（2-（羟基苯苯基）亚乙基）苯甲酰肼（BZOH） ，2-（1-（2-羟苯基）亚乙基）肼-1-甲硫酰胺（TSCOH）和N'-（1-（1-（2-羟苯基）亚乙基）肼甲硫酰肼（TCBOH）及其对MS腐蚀防护能力的全面研究在1 M HCl介质中。运行各种电化学实验技术，即电化学阻抗谱和电位动力学极化，结合不同的显微技术，即扫描电子显微镜，原子力显微镜和X射线光电子能谱，以评估抑制剂的耐腐蚀性能。通过测量在不同电解液中的接触角，可以进一步分析低碳钢的表面特征。此外，这些湿化学实验结果与从头算DFT研究和MD模拟得到的结果相得益彰。此外，MD模拟结果有助于相互作用的可视化，从而抑制抑制剂在Fe（110）表面的吸附。