摘要
为了探讨苯并咪唑类化合物对碳钢的缓蚀性能,采用失重法对苯并咪唑(BI),2-甲基苯并咪唑(2-CH_3-BI),2-氨基苯并咪唑(2-NH_2-BI),2-巯基苯并咪唑(2-SH-BI)4种缓蚀剂在1 mol/L HCl溶液中对A3钢的缓蚀性能进行了研究,通过量子化学密度泛函理论(DFT)方法对缓蚀机理进行了分析。结果显示:4种缓蚀剂均具有较好的缓蚀性能,缓蚀效率的从大到小依次为2-SH-BI>2-NH_2-BI>2-CH_3-BI>BI;4种缓蚀剂在A3钢表面发生了物理、化学混合吸附,其规律服从Langmuir吸附等温式;4种分子的前线轨道均离域于整个分子,反应活性从大到小依次为2-SH-BI>2-NH_2-BI>2-CH_3-BI>BI,与失重法测得的结果相吻合。
The corrosion inhibition performance of four kinds of inhibitors including benzimidazole(BI),2 - methylbenzimidazole(2-CH_3-BI),2- aminobenzimidazole(2 - NH_2 - BI) and 2 - mercaptobenzimidazole (2-SH-BI) for A3 steel in 1 mol/L HC1 solution was investigated using weight loss method.The inhibition mechanism of the four compounds was analyzed based on quantum chemical calculations with density functional theory.Results indicate that four inhibitors all have excellent corrosion inhibition performance for the carbon steel in 1 mol/L HCl solution.In terms of the inhibition efficiency,they could be ranked as2-SH-BI > 2- NH_2- BI > 2-CH_3-BI>BI.Besides,all the four compounds were dominated by mixed type of physico-chemical adsorption on the steel surface, and their adsorption behavior followed Langmuir adsorption isotherm.Moreover,the front orbits of the molecules of the four compounds were all delocalized in relation to the bulk molecules, and in terms of reactivity they could be ranked as 2 - SH - BI> 2-NH_2-BI>2-CH_3-BI > BI,well conforming with the results measured by weight loss method.
出处
《材料保护》
CAS
CSCD
北大核心
2011年第11期75-78,9,共4页
Materials Protection
基金
中石化普光气田防腐蚀技术研究专项课题(309003)资助
关键词
缓蚀剂
苯并咪唑
吸附行为
密度泛函理论(DFT)
缓蚀机理
缓蚀性能
corrosion inhibitor
benzimidazole
adsorption behavior
density functional theory
inhibition mechanism
inhibition performance
