摘要
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.
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.
出处
《武汉大学学报(自然科学版)》
CSCD
1999年第2期150-152,共3页
Journal of Wuhan University(Natural Science Edition)
基金
国家自然科学基金
关键词
吡啶
衍生物
铝
缓蚀效率
电子结构
pyridine and its derivatives
aluminum
inhibition efficiency
AM1