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Corrosion inhibition of mild steel by 2-(2-methoxybenzylidene) hydrazine-1-carbothioamide in hydrochloric acid solution: Experimental measurements and quantum chemical calculations
Journal of Molecular Liquids ( IF 5.3 ) Pub Date : 2020-03-21 , DOI: 10.1016/j.molliq.2020.112957
Hana Ferkous , Souad Djellali , Rachid Sahraoui , Yacine Benguerba , Hamza Behloul , Alaaddin Çukurovali

Corrosion inhibition effect of 2-(2-methoxybenzylidene) hydrazine-1-carbothioamide (MBHCA) for mild steel in acidic medium (HCl/1 M) is evaluated using polarization tests (potentiodynamic), electrochemical impedance spectroscopy (EIS) and gravimetric method. The parameters of adsorption of the inhibitor on the metal surface are determined and the external morphology of the metal is examined by SEM. The results show that the rate of steel corrosion is significantly reduced with augmentation in the Schiff base concentration where the inhibition efficiency of MBHCA reaches a maximum value of 97.8% at 200 ppm. Polarization measurements reveal that the presence of MBHCA declines considerably the current and shifts the corrosion potential to higher values indicating that this Schiff base acts as a mixed type inhibitor with a cathodic dominance. From the thermodynamic results, the inhibitor adsorption on the steel surface via the chemisorption mechanism is confirmed and Langmuir model is the most suitable to describe the MBHCA adsorption. Moreover, the metal surface examination with SEM confirms the efficiency of MBHCA to keep mild steel protected against the used aggressive medium. Correlation of quantum chemical calculations with experimental results of the present work is discussed according to the Density Functional Theory method (DFT) and molecular dynamics simulation (MD).



中文翻译:

2-(2-甲氧基亚苄基)肼-1-甲硫酰胺在盐酸溶液中对低碳钢的腐蚀抑制作用:实验测量和量子化学计算

采用极化试验(电位动力学),电化学阻抗谱(EIS)和重量分析法,评价了2-(2-甲氧基亚苄基)肼-1-甲硫酰胺(MBHCA)在酸性介质(HCl / 1 M)中对低碳钢的腐蚀抑制作用。确定抑制剂在金属表面上的吸附参数,并通过SEM检查金属的外部形态。结果表明,随着Schiff碱浓度的增加,钢的腐蚀速率显着降低,其中MBHCA的抑制效率在200 ppm时达到最大值97.8%。极化测量结果表明,MBHCA的存在会显着降低电流并将腐蚀电位移至更高的值,这表明该Schiff碱可作为具有阴极优势的混合型抑制剂。根据热力学结果,证实了抑制剂通过化学吸附机理吸附在钢表面,Langmuir模型最适合描述MBHCA吸附。此外,用SEM进行的金属表面检查证实了MBHCA可以有效保护低碳钢免受使用过的侵蚀性介质的侵害。根据密度泛函理论方法(DFT)和分子动力学模拟(MD),讨论了量子化学计算与本工作的实验结果的相关性。SEM进行的金属表面检查证实了MBHCA可以有效保护低碳钢免受使用过的侵蚀性介质的侵害。根据密度泛函理论方法(DFT)和分子动力学模拟(MD),讨论了量子化学计算与本工作的实验结果的相关性。SEM进行的金属表面检查证实了MBHCA可以有效保护低碳钢免受使用过的侵蚀性介质的影响。根据密度泛函理论方法(DFT)和分子动力学模拟(MD),讨论了量子化学计算与本工作的实验结果的相关性。

更新日期:2020-03-22
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