新型偶氮衍生物对C45碳钢在盐酸溶液中的缓蚀作用:合成、恒电位测量和DFT研究

IF 0.7 4区 化学 Q4 CHEMISTRY, PHYSICAL
Alaa Abd AL-Zahra, Zaynab Hussein Fadel, Ali J. A. Al-Sarray, Iftikhar Ahmed Hussein, Taghreed H. Al-Noor
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引用次数: 0

摘要

本研究通过甲氧氯普胺重氮化、水杨酸甲酯加成、温度和pH调节等步骤,成功合成了一种新的偶氮衍生物甲基-5-((2-氯-4-(2-(二乙基氨基)乙基)氨甲酰)-5-甲氧基苯基)-2-羟基苯甲酸酯。合成的偶氮化合物收率为90%,并通过红外光谱和核磁共振光谱对其结构进行了表征。然后,在293 ~ 313 K的温度范围内,利用动电位极化技术(Tafel外推法)对合成的偶氮化合物在0.1 M HCl中作为C45碳钢的缓蚀剂进行了评价。缓蚀剂的缓蚀效率随缓蚀剂浓度的增加而增加,在293 K时,缓蚀剂浓度为300 ppm时达到94%,同时腐蚀电位向负方向移动,表明缓蚀剂的阴极性质。热力学分析揭示了温度对缓蚀效果的影响,表明碳钢的活化能和吸热溶解增加。这些观察结果得到了B3LYP/6-311++G基下的理论密度泛函理论(DFT)方法的支持。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Corrosion Inhibition of Carbon Steel C45 Using New Azo Derivative in HCl Solution: Synthesis, Potentiostatic Measurement, and DFT Studies

Corrosion Inhibition of Carbon Steel C45 Using New Azo Derivative in HCl Solution: Synthesis, Potentiostatic Measurement, and DFT Studies

In this study, a new azo derivative, namely methyl-5-((2-chloro-4-((2-(diethylamino)ethyl)carbamoyl)-5-methoxyphenyl)diazenyl)-2-hydroxybenzoate, was successfully synthesized through a multistep process involving the diazotization of metoclopramide, the addition of methyl salicylate, and subsequent temperature and pH adjustments. The synthesis yielded azo compound with 90%, and its structure was characterized using FT-IR and 1H-NMR spectroscopy. The synthesized azo compound was then evaluated as a corrosion inhibitor for carbon steel C45 in 0.1 M HCl, employing potentiodynamic polarization technique (Tafel extrapolation) over a temperature range of 293 to 313 K. The corrosion inhibition efficiency exhibited a concentration-dependent increase, reaching 94% at 300 ppm inhibitor concentration at 293 K, accompanied by a shift in corrosion potential towards the negative direction, indicating the cathodic nature of the inhibitor. Thermodynamic analysis revealed the influence of temperature on the corrosion inhibition efficacy, demonstrating increased activation energy and endothermic dissolution of carbon steel. These observations were supported by the theoretical density functional theory (DFT) method at the B3LYP/6-311++G basis set for the inhibitor.

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来源期刊
CiteScore
1.20
自引率
14.30%
发文量
376
审稿时长
5.1 months
期刊介绍: Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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