摘要
本文用失重法测定了咪唑及其衍生物在盐酸溶液中对20钢的缓蚀效率。用量子化学方法优化计算了咪唑及其衍生物分子的几何构型。选取 α-Fe变体的(100)晶面上8个Fe原子作为Fe-界面。并用量子化学方法研究了这些缓蚀剂分子在Fe-界面上的吸附模型,讨论了缓蚀机理。
The corrosion inhibition efficiencies of imidazole and its derivatives on iron surface in hydrochloric acid were determined with weight-loss test,respectively.The corrsponding geometries of these molecules were optimized by means of MNDO method. It was found that the inhibition efficiency of the compounds was well correlated with the net charge sum of the atoms in their five - ring. Based on the clculated results the most probable adsorption mode was obtained.
出处
《湖北理工学院学报》
1997年第2期1-5,共5页
Journal of Hubei Polytechnic University
基金
国家自然科学基金资助课题
腐蚀与防护国家重点实验室项目
