First-principles and experimental study on the inhibition efficiency of BTA for 20SiMn steel in chloride-containing solutions

被引：3

作者：

Cao, Fengting ^{[1
]}

Gao, Guangyao ^{[1
]}

Li, Jie ^{[1
]}

Li, Tao ^{[2
]}

He, Zequan ^{[1
]}

Wang, Tiegang ^{[1
]}

Liu, Yanmei ^{[1
]}

Fan, Qixiang ^{[1
]}

Ma, Hui ^{[3
]}

Chen, Xing-qiu ^{[3
]}

机构：

[1] Tianjin Univ Technol & Educ, Sch Mech Engn, Tianjin Key Lab High Speed Cutting & Precis Machin, Tianjin 300222, Peoples R China

[2] Sinopec Tianjin Petrochem Equipment & Instrumentat, Tianjin 300271, Peoples R China

[3] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci SYNL, Shenyang 110016, Peoples R China

来源：

MATERIALS LETTERS | 2023年 / 352卷

基金：

中国国家自然科学基金;

关键词：

Corrosion inhibitor; BTA; DOS; Corrosion; Chemisorption; CORROSION-INHIBITORS; MILD-STEEL; BENZOTRIAZOLE;

D O I：

10.1016/j.matlet.2023.135164

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The inhibition effect of benzotriazole (BTA) with the increase of concentration for 20SiMn steel in 3.5 wt% NaCl solutions was investigated by electrochemical methods, Scanning Electron Microscope (SEM), X-ray Photoelectron Spectroscopy (XPS) and Density Functional Theories(DFT). Results indicate that BTA could suppress the corrosion of 20SiMn steel through chemisorption but with a limited inhibition efficiency (around 60%). DFT calculated results show that the chemisorption of BTA has noticeable effects on the charge distribution of the whole BTA molecule, as well as that of N atom which bonds with Fe atom, but has little influence on those of Fe atom in N-Fe bond and Fe(1 1 0) surface where BTA molecules adsorb. The DFT calculated Density of States (DOS) peaks of N atom in N-Fe and those of BTA molecule become lower after the adsorption, and the location of DOS peaks move far away from the Femi surface, implying a more stable structure. As to Fe atom in N-Fe bond and Fe(1 1 0) surface, neither height nor locations of the DOS peaks change,which is crucial for losing electrons of metallic matrix and thus responsible for the limitation of BTA inhibition effect.

引用

页数：4

共 15 条

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