Quantum chemical approach of corrosion inhibition

被引：422

作者：

Khalil, N ^{[1
]}

机构：

[1] Univ Alexandria, Fac Sci, Dept Chem, Alexandria, Egypt

来源：

ELECTROCHIMICA ACTA | 2003年 / 48卷 / 18期

关键词：

steel; inhibitors; thiosemicarbazides; quantum chemical parameters; composite index;

D O I：

10.1016/S0013-4686(03)00307-4

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

An examination of quantum chemical and corrosion inhibition studies were made to see if any clear links exist between the two. The results of quantum chemical calculations and experimental efficiencies of inhibitors were subjected to correlation analysis. A composite index of some of the key quantum chemical parameters was constructed in order to characterize the inhibition performance of the tested molecules. (C) 2003 Elsevier Science Ltd. All rights reserved.

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页码：2635 / 2640

页数：6

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