Investigation of the Inhibition Mechanism of Organic Corrosion Inhibitors on the Copper Surface by DFT study and MD simulations

被引：2

作者：

Zeng, Huili ^{[1
,2
]}

Zhao, Xinyu ^{[1
,2
]}

Wang, Yi ^{[1
,2
]}

Dong, Xiaoman ^{[1
,2
]}

Liu, Anmin ^{[2
]}

Ren, Xuefeng ^{[1
,2
]}

机构：

[1] Dalian Univ Technol, Sch Ocean Sci & Technol, Panjin 124221, Peoples R China

[2] Dalian Univ Technol, Sch Chem Engn, State Key Lab Fine Chem, Panjin 124221, Peoples R China

来源：

CHEMISTRYSELECT | 2023年 / 8卷 / 23期

基金：

中国国家自然科学基金;

关键词：

Copper corrosion; DFT; Inhibition mechanism; Molecular dynamic simulation; Organic corrosion inhibitor; HYDROCHLORIC-ACID SOLUTION; MILD-STEEL; MOLECULAR-DYNAMICS; CARBON-STEEL; HCL SOLUTION; DERIVATIVES; RESISTANCE; MORPHOLOGY;

D O I：

10.1002/slct.202204908

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Supports of the National Natural Science Foundation of China (21908017 and 21902021), the Undergraduate Innovation and Entrepreneurship Training Program Dalian University of Technology (20211014110934), the Foundation of State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering (2022-K70), the Fundamental Research Funds for the Central Universities (DUT22LK09), the Open Foundation of Key Laboratory of Industrial Ecology and Environmental Engineering, MOE (KLIEEE-20-01, KLIEEE-21-02), and the Hefei Advanced Computing Center for this work are gratefully acknowledged.

引用

页数：10

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