咪唑离子液体在 20%盐酸溶液中的高温缓蚀机理。
Corrosion inhibition mechanism of imidazole ionic liquids with high temperature in 20% HCl solution.
机构信息
College of Chemistry and Chemical Engineering, Southwest Petroleum University, Chengdu, 610500, People's Republic of China.
Engineering Research Center of Oilfield Chemistry, Ministry of Education, Chengdu, 610500, People's Republic of China.
出版信息
J Mol Model. 2022 Dec 31;29(1):29. doi: 10.1007/s00894-022-05436-w.
BACKGROUND
This paper focuses on the chemical and physical adsorption of 1-hexyl-2,3-dimethyl imidazolium bromide (HDMIMBr), 1-decyl-2,3-dimethyl imidazolium bromide (DDMIMBr), and 1-hexadecyl-2,3-dimethyl imidazolium bromide (C16DMIMBr) on the surface of mild steel at high temperature in order to explore the mechanism of a corrosion inhibitor in a complex environment.
METHODS
Gravimetric, scanning electron microscope, X-ray photoelectron spectroscopy, and electrochemical tests explored the corrosion inhibition performance from the experimental level. Quantum chemical calculations and molecular dynamics simulations reveal the corrosion inhibition mechanism from the molecular scale.
RESULTS
The results show that the longer the alkyl chain of the three corrosion inhibitors studied, the better the corrosion inhibition performance. This is due to the hydrophobic effect of the long alkyl chain, which has its own synergistic effect and then self-assembles to form an adsorption film with a multilayer structure.
CONCLUSION
This dense adsorption film makes corrosion inhibitors a good application prospect in complex corrosive environments.
背景
本文重点研究了 1-己基-2,3-二甲基碘化咪唑（HDMIMBr）、1-癸基-2,3-二甲基碘化咪唑（DDMIMBr）和 1-十六基-2,3-二甲基碘化咪唑（C16DMIMBr）在高温下对低碳钢表面的化学和物理吸附，以探究在复杂环境中腐蚀抑制剂的作用机制。
方法
通过重量法、扫描电子显微镜、X 射线光电子能谱和电化学测试从实验水平研究了缓蚀性能。量子化学计算和分子动力学模拟从分子尺度揭示了缓蚀机理。
结果
结果表明，在所研究的三种腐蚀抑制剂中，烷基链越长，缓蚀性能越好。这是由于长烷基链的疏水效应，其具有协同作用，然后自组装形成具有多层结构的吸附膜。
结论
这种致密的吸附膜使得腐蚀抑制剂在复杂的腐蚀环境中具有良好的应用前景。
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