紫堇提取物作为酸性介质中低碳钢的绿色缓蚀剂:电化学和计算研究

IF 1.3 4区 化学 Q4 ELECTROCHEMISTRY
Venkata Kanaka Rao Pulapa , Mastan Rao Kotupalli
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引用次数: 0

摘要

本研究的目的是阐明青花菊(Cyanthillium cinerium, L.)的缓蚀效果。H.Rob。通过电化学阻抗谱(EIS)、动电位极化(PDP)、扫描电子显微镜(SEM)和密度泛函理论(DFT)等方法对1 M HCl介质中5LX70低碳钢(MS)进行了绿色抑制剂研究。当缓蚀剂浓度为600 ppm时,EIS的缓蚀效率为88.12 %,缓蚀机制一致;极化缓蚀效率为85.73 %。腐蚀电位从空白到最高缓蚀剂浓度的变化小于85 mV,表明缓蚀剂具有混合型行为。在腐蚀溶液中加入缓蚀剂可使电解质/电极界面的电荷转移电阻增加374.1 Ωcm2,腐蚀电流降低17.78µAcm−2;这证实了抑制剂对MS表面的保护作用。SEM结果证实了抑制剂对金属表面的覆盖作用。DFT模拟得到的量子化学参数表明,抑制剂分子可以与金属原子螯合,进一步的Mulliken电荷和Fukui指数表明了局部反应描述子。蒙特卡罗模拟提供了指示Fe(110)表面化学吸附的能量分布。本研究表明,Cyanthillium cinereum是一种很有前途的低碳钢绿色缓蚀剂,提供了一种环保和可持续的解决方案。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Cyanthillium cinerium(L.) extract as green corrosion inhibitor for mild steel in acidic medium: Electrochemical and computational study
The present study aims to elucidate the corrosion inhibition efficacy of Cyanthillium cinerium(L.) H.Rob. as a green inhibitor on 5LX70 mild steel (MS) in 1 M HCl medium by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), scanning electron microscopy (SEM), and density functional theory (DFT). The EIS results yielded 88.12 % inhibition efficiency at 600 ppm of inhibitor concentration with a uniform corrosion mechanism while the polarization results achieved 85.73 % of efficiency. The shift of corrosion potential from blank to the highest inhibitor concentration was found to be less than 85 mV suggesting mixed type behavior of the inhibitor. The addition of inhibitor to the aggressive solution produced an increase of 374.1 Ωcm2 charge transfer resistance at the electrolyte/electrode interface and a decrease of 17.78 µAcm−2 corrosion current in polarization studies; this confirmed the protective ability of the inhibitor on MS surface. The SEM results confirmed the surface coverage by the inhibitor on the metal surface. Quantum chemical parameters obtained by DFT simulations suggested that the inhibitor molecules could chelate with metal atoms and further Mulliken charges and Fukui indices indicated the local reactive descriptors. Monte Carlo simulations provided energy profiles that are indicative of chemical adsorption on the Fe (1 1 0) surface. This study demonstrates that Cyanthillium cinereum is a promising green corrosion inhibitor for mild steel, offering an eco-friendly and sustainable solution.
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来源期刊
CiteScore
3.00
自引率
20.00%
发文量
714
审稿时长
2.6 months
期刊介绍: International Journal of Electrochemical Science is a peer-reviewed, open access journal that publishes original research articles, short communications as well as review articles in all areas of electrochemistry: Scope - Theoretical and Computational Electrochemistry - Processes on Electrodes - Electroanalytical Chemistry and Sensor Science - Corrosion - Electrochemical Energy Conversion and Storage - Electrochemical Engineering - Coatings - Electrochemical Synthesis - Bioelectrochemistry - Molecular Electrochemistry
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