吡啶及其衍生物的电子结构对铝缓蚀性能的影响

吡啶及其衍生物的电子结构对铝缓蚀性能的影响 The Effect of Electronic Structure Pyridine and its Derivatives’ of on Their Inhibition Efficiencies for Pure Aluminium 颜肖慈 YAN Xiao ci 1 first-author 赵红 ZHAO Hong 1 董莲叶 DONG Lian ye 1 罗明道 LUO Ming dao 1 任红轩 REN Hong xuan 1 陈冠雄 CHEN Guan xong 1 武汉大学化学学院 武汉大学化学学院 College of Chemistry,Wuhan University College of Chemistry,Wuhan University 在酸性条件下采用失重法测量了吡啶及其衍生物对纯铝的缓蚀性能．用ＡＭ１量子化学计算方法优化计算了这类化合物分子的几何构型、电荷密度、轨道能级等量子化学数据．文中讨论了其吸附机理 The inhibition properties of pyridine and its derivatives for aluminum（99.5%） were determined with weight loss method.The geometries of pyridine and its derivatives were optimized,the energies of their molecular were calculated using semiempirical AM1 method.The mechanism of their adsorption on the aluminum surface was discussed in this paper. 吡啶及其衍生物 铝 缓蚀效率 AM1 pyridine and its derivatives aluminum inhibition efficiency AM1 O621.13 国家自然科学基金(61672102) 1999-02-01 2021-04-01 2