Extraordinary corrosion inhibition efficiency of omeprazole in 1 M HCl solution: Experimental and theoretical investigation
Extraordinary corrosion inhibition efficiency of omeprazole in 1 M HCl solution: Experimental and theoretical investigation
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DOI：
10.1002/sia.7181
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发表时间：
2022-12
影响因子：
1.7
通讯作者：
Pengjie Wang;Liping Xiong;Zhongyi He;Xin Xu;Jianqiang Hu;Qi Chen;Renhui Zhang;Jibin Pu;Lei Guo
中科院分区：
文献类型：
--
作者：
Pengjie Wang;Liping Xiong;Zhongyi He;Xin Xu;Jianqiang Hu;Qi Chen;Renhui Zhang;Jibin Pu;Lei Guo
首次研究了一种绿色、高效的药物缓蚀剂奥美拉唑（OL）在298、308和318 K下对Q235碳钢的缓蚀作用。采用开路电位法、塔菲尔法、电化学阻抗法和失重法研究了该缓蚀剂在盐酸介质中对Q235碳钢的缓蚀性能。结果表明，由于OL在Q235表面形成了致密有序的吸附膜，OL在不同温度下对碳钢均具有良好的防腐蚀性能。特别是在298、308和318 K下，40 mg/L的OL在Tafel中的缓蚀效率分别增加到96.11%、95.12%和94.04%。同时，X射线光电子能谱测定的N-Fe和S-Fe键揭示了钢与OL之间以S和N原子为活性中心的多重锚定相互作用。密度泛函理论和分子动力学模拟结果表明，OL在Fe表面具有较低的能隙ΔE和较高的吸附能，径向分布函数（RDF）表明OL在Fe表面具有较强的化学吸附，从分子或原子水平证明了OL的上级缓蚀性能。
Omeprazole (OL) as a green and efficient drug corrosion inhibitor was first investigated for the corrosion inhibition of Q235 carbon steel at 298, 308, and 318 K. Open circuit potential, Tafel, electrochemical impedance spectroscopy, and weight loss were used to evaluate the inhibition performance toward Q235 carbon steel in HCl medium. The results showed that OL exhibited excellent corrosion protection to carbon steel at different temperatures because of forming the compact and ordered OL adsorption film on Q235 surface. Especially, the inhibition efficiency increased to 96.11%, 95.12%, and 94.04% for 40‐mg/L OL in Tafel at 298, 308, and 318 K. Meanwhile, N–Fe and S–Fe bonds determined from X‐ray photoelectron spectroscopy revealed the multiple anchoring interactions between steel and OL with S and N atoms as the active sites. Density functional theory and molecular dynamics simulations showed the low energy gap ΔE and high adsorption energy values, besides the radial distribution function (RDF) indicating the strong chemical sorption of OL on Fe surface, which proved the superior corrosion inhibition efficiency of OL at a molecular or atomic level.