文章基本信息

标题：Quantum chemical calculations and corrosion inhibition efficiency of biopolymer “chitosan” on copper surface in 3%NaCl
本地全文：下载
作者：Oukhrib R. ; El Ibrahimi B. ; Bourzi H. 等
期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2017
卷号：8
期号：1
页码：195-209
出版社：University of Mohammed Premier Oujda
摘要：The ability of chitosan biopolymer to inhibit the corrosion of copper in 3%NaCl solution was investigated experimentally and theoretically. In the firststage, the obtained results from electrochemical (polarization andimpedance techniques) and weight loss measurements combined tomorphology analysis reveal that this biopolymer act as a cathodic inhibitorand its inhibition efficiency (IE) increases with increasing of concentrationto reach 86% at 1000 ppm. A slight decrease of IE was noted withincreasing in temperature and the adsorption of chitosan on copper surfacewas found to obey Langmuir isotherm. In the second stage, the quantumchemical computations and molecular dynamics simulations showed thatthe studied compound was adsorbed differentially on the metal surface alldepend to the nature of copper surface (Cu or Cu2O) and the molecularstructure of tested polymer.
关键词：Corrosion inhibition; Copper; chitosan; NaCl 3%; Adsorption isotherm; Quantum chemical; Molecular dynamic