In-depth study of the adsorption mechanism of two synthesized triazole-pyrazole derivatives for corrosion inhibition of steel in 1M HCl: Electrochemical, XPS and computational approaches

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2025-06-27 DOI:10.1016/j.jtice.2025.106244

N. Setti , A. Barrahi , Y. Draoui , Abhinay Thakur , M. Maatallah , M. El Faydy , M. El Massoudi , S. Radi , B. Dikici , Hatem A. Abuelizz , A. Zarrouk , A. Dafali

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引用次数: 0

Abstract

Background

This work examined two newly synthesized triazole-pyrazole hybrids, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1H-1,2,4-triazole (TzPz1) and 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methyl-1H-1,2,4-triazole (TzPz2), as prospective corrosion inhibitors for carbon steel in 1 M HCl.

Methods

The inhibitory efficacy of TzPz1 and TzPz2 was evaluated by PDP and EIS to examine their electrochemical properties. The surface morphology and elemental composition were analyzed using SEM/EDX, while XPS and UV-visible spectroscopy were employed to investigate their chemical interactions with the steel surface. The adsorption behavior was assessed using the Langmuir isotherm, while theoretical investigations (DFT and MDS) elucidated the molecular-level adsorption process.

Significant findings

The study demonstrated that TzPz1 and TzPz2 display concentration-dependent inhibition, with TzPz2 (95.2%) proving more efficacious than TzPz1 (92.6%) at 303 K and 10⁻³ M, as ascertained by PDP measurements. Both function as mixed-type inhibitors, adhering to the Langmuir isotherm and generating a chemisorbed protective layer, as shown by XPS and SEM-EDX analyses. DFT and MDS computations corroborated these findings, emphasizing robust interactions with the steel surface, consistent with experimental data.

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深入研究两种合成的三唑-吡唑衍生物对钢在1M HCl中的缓蚀吸附机理：电化学、XPS和计算方法

本文研究了两种新合成的三唑-吡唑类化合物，3-（3,5-二甲基- 1h -吡唑-1-基）- 1h -1,2,4-三唑（TzPz1）和3-（3,5-二甲基- 1h -吡唑-1-基）-1-甲基- 1h -1,2,4-三唑（TzPz2），作为碳钢在1m盐酸中的缓蚀剂。方法采用PDP法和EIS法对zpz1和zpz2的抑菌效果进行评价，考察其电化学性质。利用SEM/EDX分析了表面形貌和元素组成，利用XPS和紫外可见光谱研究了它们与钢表面的化学相互作用。采用Langmuir等温线对吸附行为进行了评价，而理论研究（DFT和MDS）则阐明了分子水平的吸附过程。该研究表明，TzPz1和TzPz2表现出浓度依赖性的抑制作用，在303 K和10−3 M时，通过PDP测量，TzPz2（95.2%）比TzPz1（92.6%）更有效。XPS和SEM-EDX分析显示，两者都是混合型抑制剂，粘附在Langmuir等温线上，产生化学吸附保护层。DFT和MDS计算证实了这些发现，强调与钢表面的鲁棒相互作用，与实验数据一致。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of the Taiwan Institute of Chemical Engineers 工程技术-工程：化工

CiteScore

9.10

自引率

14.00%

发文量

362

审稿时长

35 days

期刊介绍： Journal of the Taiwan Institute of Chemical Engineers (formerly known as Journal of the Chinese Institute of Chemical Engineers) publishes original works, from fundamental principles to practical applications, in the broad field of chemical engineering with special focus on three aspects: Chemical and Biomolecular Science and Technology, Energy and Environmental Science and Technology, and Materials Science and Technology. Authors should choose for their manuscript an appropriate aspect section and a few related classifications when submitting to the journal online.