文献类型：期刊文献

英文题名：Experimental and theoretical studies of benzalkonium chloride as an inhibitor for carbon steel corrosion in sulfuric acid

作者：Guo, Lei[1];Zhu, Shanhong[2];Zhang, Shengtao[1]

第一作者：Guo, Lei

通讯作者：Zhang, ST[1]

机构：[1]Chongqing Univ, Sch Chem & Chem Engn, Chongqing 400044, Peoples R China;[2]Xinxiang Univ, Sch Comp & Informat Engn, Xinxiang 453003, Peoples R China

第一机构：Chongqing Univ, Sch Chem & Chem Engn, Chongqing 400044, Peoples R China

通讯机构：[1]corresponding author), Chongqing Univ, Sch Chem & Chem Engn, Chongqing 400044, Peoples R China.

年份：2015

卷号：24

起止页码：174-180

外文期刊名：JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

收录：;EI(收录号：20152200901721);Scopus(收录号：2-s2.0-84930061349);WOS:【SCI-EXPANDED(收录号:WOS:000356197000024)】；

基金：This research was sponsored by the National Natural Science Foundation of China (21003163, 21376282). We would like to thank the anonymous referees for valuable criticisms and useful suggestions that helped us to improve the quality of our present and future work.

语种：英文

外文关键词：Electrochemical test; Weight loss test; Corrosion inhibitor; Quantum chemical calculation; Molecular dynamics simulation

摘要：The effect of benzalkonium chloride (BKC) on the corrosion of carbon steel in H2SO4 media has been examined by electrochemical impedance spectroscopy (EIS), polarization, weight loss, and scantling electron microscopy (SEM) methods. The results showed that the corrosion inhibition efficiency of BKC was excellent. Potentiodynamic polarization study showed that the BKC was a mixed-type inhibitor. DFT calculations were used to gain insight into the structural and electronic properties in relation to the inhibition efficiency. Molecular dynamics (MD) simulations demonstrate that chloride ion plays a significant role in the inhibition mechanism. (C) 2014 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.