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  • 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.
  • 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
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