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没食子提取物的电化学和密度泛函理论研究:一种在酸性介质中对钢腐蚀的环保方法

Electrochemical and DFT Studies of the Gall Extract: An Eco-friendly Approach towards the Corrosion of Steel in Acidic Medium.

作者信息

Kaur Jasdeep, Almujibah Hamad, Alam Mohammad Mahtab, Singh Abha, Saxena Akhil, Verma Dakeshwar Kumar, Berdimurodov Elyor

机构信息

Department of Chemistry, Chandigarh University Mohali, NH-05, Ludhiana - Chandigarh State Highway, Sahibzada Ajit Singh Nagar, Punjab 140413, India.

Department of Civil Engineering, College of Engineering, Taif University, P.O. Box 11099, Taif City 21974, Saudi Arabia.

出版信息

ACS Omega. 2024 Feb 8;9(7):7643-7657. doi: 10.1021/acsomega.3c06824. eCollection 2024 Feb 20.

DOI:10.1021/acsomega.3c06824
PMID:38405447
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10882615/
Abstract

A novel application of the gall extract as an environmentally friendly corrosion inhibitor is reported in this study. The major phytochemicals present in the gall extract, namely pistagremic acid, β-sitosterol, pistiphloroglucinyl ether, pistaciaphenyl ester, naringenin, and 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, play key roles in its anticorrosive behavior on steel in aggressive media. Several approaches were used to study the corrosion prevention activity of steel in 1 M HSO, including weight loss analysis, scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), and density functional theory (DFT). At 2000 mg L, the highest efficiency of 92.19% was observed in 1 M HSO. An SEM study was conducted to validate the surface coverage of the metal surface. DFT studies revealed several nucleophilic regions present in the phytochemicals of the inhibitor, which supported the favorable nucleophilicity. Corrosion studies have not been performed on this sample. Phytochemicals make it an effective corrosion inhibitor, and its extraction process utilizes distilled water, making it better than other inhibitors. It has been proven that the obtained values of Δ for pistiphloroglucinyl, pistaciaphenyl ether, and naringenin organic compounds were very low, confirming the high reactivity of these corrosion inhibitors. The order of the values of Δ is as follows: pistaciaphenyl ether > pistiphloroglucinyl ether > naringenin organic compound; this suggests that pistaciaphenyl ether is more reactive than the other compounds. In this study, gall extract emerges as a novel and highly effective corrosion resistance agent in 1 M HSO, chosen for its relevance to acid pickling and cleaning processes.

摘要

本研究报道了没食子提取物作为一种环境友好型缓蚀剂的新应用。没食子提取物中存在的主要植物化学物质,即没食子鞣酸、β-谷甾醇、没食子酰基间苯三酚醚、黄连木苯基酯、柚皮素和5,7-二羟基-2-(4-羟基苯基)-2,3-二氢色原酮-4-酮,在其对侵蚀性介质中钢的防腐行为中起关键作用。采用了几种方法来研究钢在1 M硫酸中的防腐蚀活性,包括失重分析、扫描电子显微镜(SEM)、电化学阻抗谱(EIS)、动电位极化(PDP)和密度泛函理论(DFT)。在2000 mg/L时,在1 M硫酸中观察到最高效率为92.19%。进行了SEM研究以验证金属表面的覆盖情况。DFT研究揭示了抑制剂植物化学物质中存在几个亲核区域,这支持了有利的亲核性。尚未对该样品进行腐蚀研究。植物化学物质使其成为一种有效的缓蚀剂,并且其提取过程使用蒸馏水,使其优于其他缓蚀剂。已证明没食子酰基间苯三酚、黄连木苯基酯和柚皮素有机化合物的Δ值非常低,证实了这些缓蚀剂的高反应性。Δ值的顺序如下:黄连木苯基酯>没食子酰基间苯三酚醚>柚皮素有机化合物;这表明黄连木苯基酯比其他化合物更具反应性。在本研究中,没食子提取物作为1 M硫酸中的一种新型高效抗腐蚀剂出现,因其与酸洗和清洗过程的相关性而被选用。

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