首页> 外文期刊>Journal of Molecular Structure >Effective inhibition of mild steel corrosion by 6-bromo-(2,4-dimethoxyphenyl)methylidene]imidazo [1,2-a]pyridine-2-carbohydrazide in 0.5 M HCl: Insights from experimental and computational study
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Effective inhibition of mild steel corrosion by 6-bromo-(2,4-dimethoxyphenyl)methylidene]imidazo [1,2-a]pyridine-2-carbohydrazide in 0.5 M HCl: Insights from experimental and computational study

机译:通过6-溴 - (2,4-二甲氧基苯基)亚咪唑[1,2-A]吡啶-2-碳水化物在0.5M HCl中的6-溴 - (2,4-二甲氧基苯基)吡啶-2-碳酰肼的有效抑制:来自实验和计算研究的见解

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摘要

A new inhibitor, 6-bromo-(2,4-dimethoxyphenyl)methylidene]imidazo [1,2-a]pyridine-2-carbohydrazide (DMPIP) was evaluated as a corrosion inhibitor for Mild Steel (MS) in 0.5 M HCl solution at 303-323 K using potentiodynamic polarization and electrochemical impedance spectroscopic (EIS) techniques. Both the techniques confirmed an increase in inhibition efficiency with the concentration of DMPIP but decrease with temperature. The highest inhibitive action (96.7%) was registered at 303 K for 500 ppm of DMPIP concentration. Polarization study revealed mixed inhibition action by DMPIP. Nyquist plot obtained for MS using EIS technique showed two capacitive loops on addition of inhibitor to HC1 solution confirmed the inhibitory action of DMPIP via adsorption at the metal/solution interface. The surface morphology analysis was carried out by SEM, EDX and FTIR techniques. The adsorption process was demonstrated using Langmuir's adsorption isotherm model. The thermodynamic parameters (Delta G(ads)(0), Delta H-ads(0)) indicated that the adsorption was spontaneous and done by physisorption. Further, quantum chemical studies using Density Functional Theory (DFT) elucidated that the formation of Fe-DMPIP complex presumably due to the interaction of protonated form of DMPIP with the empty d orbitals of the iron atom. (C) 2021 Elsevier B.V. All rights reserved.
机译:采用动电位极化和电化学阻抗谱(EIS)技术,对新型缓蚀剂6-溴-(2,4-二甲氧基苯基)亚甲基]咪唑并[1,2-A]吡啶-2-碳酰肼(DMPIP)在0.5 M HCl溶液中的缓蚀性能进行了评价。这两种技术都证实了抑制效率随DMPIP浓度的增加而增加,但随温度的升高而降低。当DMPIP浓度为500 ppm时,在303 K时表现出最高的抑制作用(96.7%)。极化研究显示DMPIP具有混合抑制作用。使用EIS技术获得的MS奈奎斯特曲线显示,在向HC1溶液中添加抑制剂时出现两个电容环,证实DMPIP通过在金属/溶液界面上的吸附而起到抑制作用。采用SEM、EDX和FTIR技术进行了表面形貌分析。利用朗缪尔吸附等温线模型对吸附过程进行了验证。热力学参数(δG(ads)(0),δH-ads(0))表明吸附是自发的,通过物理吸附完成。此外,利用密度泛函理论(DFT)进行的量子化学研究表明,Fe-DMPIP络合物的形成可能是由于质子化形式的DMPIP与铁原子的空d轨道的相互作用。(c)2021爱思唯尔B.V.保留所有权利。

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