期刊
CORROSION SCIENCE
卷 98, 期 -, 页码 457-470出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.corsci.2015.05.041
关键词
Copper; Modelling studies; Interfaces; Acid inhibition; Neutral inhibition
资金
- Slovenian Research Agency [J1-2240, P2-0148]
Bonding of five imidazole type molecules-imidazole, 1-methyl-imidazole, benzimidazole, 2-mercapto-1-methyl-imidazole, and 2-mercaptobenzimidazole-with copper surfaces and hydrated Cu2+ ions is characterized in detail by DFT calculations as to explain the corrosion inhibition efficiency trend of these inhibitors for copper, determined experimentally in the Part I. We find that mercapto-substituted imidazoles are prone to deprotonation upon adsorption. They bond stronger to the surface and display weaker tendency to form soluble complexes with hydrated Cu2+ ions than non-mercapto molecules. By encapsulating these two interactions into a simple model-the first interaction is deemed as beneficial and the second as detrimental-the inhibition efficiency trend is well captured. (C) 2015 Elsevier Ltd. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据