腐蚀
介电谱
朗缪尔吸附模型
吸附
化学
分子
电化学
扫描电子显微镜
无机化学
碳钢
阿魏酸
密度泛函理论
缓蚀剂
质子化
极化(电化学)
核化学
材料科学
有机化学
计算化学
物理化学
色谱法
电极
离子
复合材料
作者
Maryam Khayatkashani,Nasrin Soltani,Nahid Tavakkoli,Azam Nejatian,Javad Ebrahimian,Makarim A. Mahdi,Masoud Salavati-Niasari
标识
DOI:10.1016/j.scitotenv.2022.155527
摘要
In this project, the protective effect of Biebersteinia multifida root extract (BMRE) against corrosion of 1018 low carbon steel (1018LCS) in HCl solutions was appraised by assessing weight loss, electrochemical impedance spectroscopy (EIS), and polarization at 25 °C. The maximum inhibitory efficacy for the concentration of 1 g/l of the BMRE was 92.8% at 25 °C after 2 h and increased to 95.3% after 24 h of immersion. Polarization experiments have shown that the extract in acidic solutions can act as a mixed corrosion inhibitor. The corrosion inhibitory efficacy of BMRE decreased with increasing temperature, and at all temperature settings studied, the adsorption of BMRE molecules on 1018 LCS was consistent with the Langmuir adsorption isotherm. The Scanning Electron Microscopy (SEM) analysis confirmed the protection of 1018 LCS in the acidic solution containing BMRE extract. Quantum chemistry studies of four main constituents of the extract called vasicinone, umbelliferon, scopoletin, and ferulic acid were performed by density functional theory, DFT, in neutral and protonated states. Calculated quantum parameters were used to investigate the active sites and donor-receptor interactions of molecules.
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