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Theoretical and Experimental Investigation of Indazole Derivatives as Corrosion Inhibitors for Copper in Acidic Medium
Langmuir ( IF 3.7 ) Pub Date : 2024-12-18 , DOI: 10.1021/acs.langmuir.4c03823 Lian Zhou, Tong Zhao, Zhefeng Li
Langmuir ( IF 3.7 ) Pub Date : 2024-12-18 , DOI: 10.1021/acs.langmuir.4c03823 Lian Zhou, Tong Zhao, Zhefeng Li
To explore the slow-release potential of indole oxygen-containing functional group derivatives in acidic media in order to reduce their negative impact on the environment. We investigated the corrosion inhibition effect of 5-Methoxy-indazole (MIA) and Methyl 1H-indazole-5-carboxylate (MIC) on copper in H2SO4 through electrochemical testing, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) analysis, and theoretical calculations. Research has found that MIA and MIC exhibit excellent corrosion inhibition performance, with MIA achieving an efficiency of up to 91.04%. SEM observed that MIA and MIC formed a protective film on the copper surface, effectively isolating the corrosive medium. The adsorption behavior conforms to the Langmuir model, indicating the coexistence of chemical and physical adsorption. Density functional theory calculations (DFT) and molecular dynamics simulations (MD) further revealed the corrosion inhibition mechanism of imidazole derivatives, emphasizing their potential for application in acidic media. These results not only elucidate the corrosion inhibition effect of imidazole compounds, but also provide new ideas for corrosion control in acidic environments.
中文翻译:
吲哚唑衍生物作为酸性介质中铜缓蚀剂的理论和实验研究
探讨含吲哚氧官能团衍生物在酸性介质中的缓释潜力,以减少其对环境的负面影响。我们通过电化学测试、X 射线光电子能谱 (XPS)、扫描电子显微镜 (SEM) 分析和理论计算,研究了 5-甲氧基吲唑 (MIA) 和 1H-吲唑-5-羧酸甲酯 (MIC) 对 H2SO4 中铜的腐蚀抑制作用。研究发现,MIA 和 MIC 表现出优异的缓蚀性能,MIA 的效率高达 91.04%。SEM 观察到 MIA 和 MIC 在铜表面形成保护膜,有效隔离腐蚀介质。吸附行为符合 Langmuir 模型,表明化学吸附和物理吸附共存。密度泛函理论计算 (DFT) 和分子动力学模拟 (MD) 进一步揭示了咪唑衍生物的腐蚀抑制机制,强调了它们在酸性介质中应用的潜力。这些结果不仅阐明了咪唑类化合物的腐蚀抑制作用,也为酸性环境中的腐蚀控制提供了新的思路。
更新日期:2024-12-19
中文翻译:
吲哚唑衍生物作为酸性介质中铜缓蚀剂的理论和实验研究
探讨含吲哚氧官能团衍生物在酸性介质中的缓释潜力,以减少其对环境的负面影响。我们通过电化学测试、X 射线光电子能谱 (XPS)、扫描电子显微镜 (SEM) 分析和理论计算,研究了 5-甲氧基吲唑 (MIA) 和 1H-吲唑-5-羧酸甲酯 (MIC) 对 H2SO4 中铜的腐蚀抑制作用。研究发现,MIA 和 MIC 表现出优异的缓蚀性能,MIA 的效率高达 91.04%。SEM 观察到 MIA 和 MIC 在铜表面形成保护膜,有效隔离腐蚀介质。吸附行为符合 Langmuir 模型,表明化学吸附和物理吸附共存。密度泛函理论计算 (DFT) 和分子动力学模拟 (MD) 进一步揭示了咪唑衍生物的腐蚀抑制机制,强调了它们在酸性介质中应用的潜力。这些结果不仅阐明了咪唑类化合物的腐蚀抑制作用,也为酸性环境中的腐蚀控制提供了新的思路。