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Electrochemical and theoretical insights on the adsorption and corrosion inhibition of novel pyridinium-derived ionic liquids for mild steel in 1 M HCl
Journal of Molecular Liquids ( IF 5.3 ) Pub Date : 2020-07-06 , DOI: 10.1016/j.molliq.2020.113737
F. El-Hajjaji , E. Ech-chihbi , N. Rezki , F. Benhiba , M. Taleb , Dheeraj Singh Chauhan , M.A. Quraishi

The corrosion protection performance of new synthesized ionic liquids derived from pyridine namely: 1-ethyl-4-(2-(4-fluorobenzylidene)hydrazinecarbonyl)pyridin-1-ium iodide (IPyrC2H5), and 1-butyl-4-(2-(4-fluorobenzylidene)hydrazinecarbonyl)pyridin-1-ium iodide (IPyr-C4H9) was investigated against mild steel corrosion in 1 M HCl by using electrochemical methods. PDP experiments revealed that the IPyr-C2H5 and IPyr-C4H9 behaved as anodic type inhibitors. Electrochemical impedance spectroscopy (EIS) measurements indicated that both compounds could inhibit the corrosion of mild steel with an inhibition efficiency of 88.8% for IPyr-C2H5 and 92.3% for IPyr-C4H9 at optimum concentration after 30 min of immersion. These compounds can be adsorbed on the mild steel surface through physical and chemical bonds, according to Langmuir isotherm model. DFT method was employed to correlate the molecular structure of pyridinium-derived ionic liquids and their experimental inhibition efficiencies. Molecular dynamics (MD) studies revealed higher interaction energy for inhibitor IPyr-C4H9 compared to IPyr-C2H5. The radial distribution function (RDF) indicated chemical adsorption of the inhibitors on the metallic surface.



中文翻译:

新型吡啶鎓离子液体对低碳钢在1 M HCl中的吸附和缓蚀的电化学和理论见解

吡啶衍生的新型合成离子液体的腐蚀防护性能:1-乙基-4-(2-(4-(氟代亚苄基)肼羰基)吡啶-1-碘化碘(IPyrC 2 H 5)和1-丁基-4-使用电化学方法研究了(2-(4-氟亚苄基)肼羰基)吡啶-1-碘鎓IPyr-C 4 H 9)在1 M HCl中对弱钢腐蚀的影响。PDP实验表明IPyr-C 2 H 5和IPyr-C 4 H 9表现为阳极型抑制剂。电化学阻抗谱(EIS)测量表明,两种化合物均能抑制低碳钢的腐蚀,在浸泡30分钟后的最佳浓度下,对IPyr-C 2 H 5的抑制效率为88.8%,对IPyr-C 4 H 9的抑制效率为92.3%。。根据Langmuir等温模型,这些化合物可以通过物理和化学键吸附在低碳钢表面上。采用DFT方法将吡啶鎓衍生的离子液体的分子结构与它们的实验抑制效率相关联。分子动力学(MD)研究表明,与IPyr-C相比,抑制剂IPyr-C 4 H 9的相互作用能更高2 H 5。径向分布函数(RDF)表示抑制剂在金属表面的化学吸附。

更新日期:2020-07-07
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