脂肪胺的电子结构与缓蚀性能关系的研究  

STUDIES ON THE CORRELATION BETWEEN ELECTRONIC STRUCTURE AND CORROSION-INHIBITING PROPERTIES OF THE ALIPHATIC AMINES

作　　者：欧阳礼[1] 颜肖慈[1] 余晓冬[1] 张慧玲 曾晖[1] 罗明道[1] 姚禄安[1] 

机构地区：[1]武汉大学化学与分子科学学院 [2]武汉市化工研究所,武汉430070

出　　处：《中国腐蚀与防护学报》2003年第6期367-369,共3页Journal of Chinese Society For Corrosion and Protection

基　　金：国家自然科学基金资助课题 ( 5 93 3 10 3 0 )

摘　　要：用失重法测试了脂肪胺类化合物在H2 SO4水溶液介质中对 2 0钢的缓蚀效率 .用MNDO量子化学计算方法优化了脂肪胺类化合物的几何构型 .发现N原子净电荷的平均值和质子化分子的前线轨道能级分别与缓蚀效率有好的相关性 .The corrosion-inhibiting efficiencies of 5 aliphatic amines on Fe electrode in H 2SO 4 solution have been determined with weight-loss method.The molecular geometries of the aliphatic amines have been optimized,and their structure parameters were obtained by means of MNDO method,respectively.Linear regression showed good correlation between the inhibition efficiencies and the average values of the N-atom net charge for non-protonated and protonated molecules,and E HOMO,+ and E LUMO,+ of protonated molecules,respectively.

关 键 词：脂肪胺 缓蚀效率 20钢 MND0 

分 类 号：TQ174.42[化学工程—陶瓷工业]