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四价阳离子表面活性剂作为碳钢在 1 M HCl 中缓蚀剂的理论和电化学评价。

Theoretical and electrochemical evaluation of tetra-cationic surfactant as corrosion inhibitor for carbon steel in 1 M HCl.

机构信息

Egyptian Petroleum Research Institute, Nasr City 11727, Cairo, Egypt.

University College of Umluj, University of Tabuk, Tabuk, Saudi Arabia.

出版信息

Sci Rep. 2023 Jan 18;13(1):942. doi: 10.1038/s41598-023-27513-7.

DOI:10.1038/s41598-023-27513-7
PMID:36653379
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9849212/
Abstract

Recently, scientist study the role of surfactants for carbon steel corrosion protection. In the present study, newly tetra-cationic surfactant (CS4: 1,N1'-(ethane-1,2-diyl) bis (N1, N2-didodecyl-N2-(2- (((E)-3-hydroxy-4-methoxy-benzylidene)amino)ethyl)ethane-1,2-diaminium) chloride) based on Schiff-base compound(5,5'-((1E,17E)-2,5,8,11,14,17-hexaazaoctadeca-1,17-diene-1,18-diyl)bis(2-methoxyphenol) was synthesised, purified and characterized using FTIR and HNMR spectroscopy. The synthesized Tetra-cationic surfactant (CS4) was evaluated as anti-corrosion for carbon steel (CS-metal) in aggressive 1 M HCl using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization techniques (PDP). CS4 compound had a good surface-active property by reducing the surface tension as a result to the hydrophobic chains role. The prepared CS4 behaved as hybrid inhibitor (mixed-type) by blocking the anodic and cathodic sites. CS4 exhibited good inhibition efficiency reached 95.69%. The surface morphology of CS-metal was studied using scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS)confirming the anti-corrosive effect of CS4 compound returned into the adsorption process of CS4 molecules over CS-metal which obeyed Langmuir adsorption isotherm. The inhibitive effect of CS4 was supported by theoretical quantum chemical studies using the density functional theory (DFT), Monte Carlo (MC) and Molecular Dynamic (MD) simulation.

摘要

最近,科学家们研究了表面活性剂在碳钢腐蚀防护中的作用。在本研究中,基于席夫碱化合物(5,5'-((1E,17E)-2,5,8,11,14,17-六氮杂十八烷-1,17-二烯-1,18-二基)双(2-甲氧基苯酚))合成了一种新型四阳离子表面活性剂(CS4:1, N1'-(乙烷-1,2-二基)双(N1, N2-二十二烷基-N2-(2-((E)-3-羟基-4-甲氧基-亚苄基)氨基)乙基)乙烷-1,2-二胺)氯化物),并使用傅里叶变换红外光谱(FTIR)和核磁共振氢谱(HNMR)对其进行了纯化和表征。合成的四阳离子表面活性剂(CS4)在腐蚀性 1 M HCl 中用作碳钢(CS 金属)的缓蚀剂,使用电化学阻抗谱(EIS)和动电位极化技术(PDP)进行评估。CS4 化合物通过减少表面张力表现出良好的表面活性,这是由于疏水链的作用。制备的 CS4 作为混合抑制剂(混合型)通过阻止阳极和阴极位点发挥作用。CS4 表现出良好的抑制效率,达到 95.69%。通过扫描电子显微镜(SEM)和 X 射线光电子能谱(XPS)研究 CS-metal 的表面形貌,证实 CS4 化合物的防腐蚀作用是 CS4 分子在 CS-metal 上的吸附过程,遵循 Langmuir 吸附等温线。CS4 的抑制作用得到了密度泛函理论(DFT)、蒙特卡罗(MC)和分子动力学(MD)模拟等理论量子化学研究的支持。

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