A quantum chemistry calculation study on the inhibition efficiency of the para-chlorobenzene nitriles on carbon steel in hydrochloric acid

被引：2

作者：

Xie, XJ ^{[1
]}

Cao, SN ^{[1
]}

Pan, L ^{[1
]}

Gong, XJ ^{[1
]}

Peng, K ^{[1
]}

机构：

[1] Wuhan Univ, Coll Dynam & Machinery, Wuhan, Peoples R China

来源：

ANTI-CORROSION METHODS AND MATERIALS | 2004年 / 51卷 / 02期

关键词：

steel; reaction chemistry;

D O I：

10.1108/000355904105231854

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

The inhibition mechanism and the relationship between the inhibition efficiency of para-chlorobenzene nitriles on carbon steel in hydrochloric acid, and their molecular structure, were studied by microscopy and quantum chemistry calculations. The inhibition of carbon steel was achieved by chemisorption of the para-chlorobenzene nitriles onto the surface of the carbon steel. The greater was the sigma(N) (absolute value) and the less the E-LUMO value, the greater was the inhibition efficiency.

引用

页码：101 / 104

页数：4

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