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  • 标题:Highly efficient eco-friendly corrosion inhibitor for mild steel in 5 M HCl at elevated temperatures: experimental & molecular dynamics study
  • 本地全文:下载
  • 作者:Muhsen A. M. El-Haddad ; A. Bahgat Radwan ; Mostafa H. Sliem
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2019
  • 卷号:9
  • 期号:1
  • 页码:1-15
  • DOI:10.1038/s41598-019-40149-w
  • 出版社:Springer Nature
  • 摘要:Laurhydrazide N'-propan-3-one was used as an eco-friendly inhibitor for the corrosion of mild steel in 5 M HCl at elevated temperatures. Various electrochemical techniques and surface characterization methods were utilized in this study. In addition, the kinetics and thermodynamic parameters were calculated and discussed. Furthermore, a geometry optimization of LHP was performed and the time-dependent density functional theory was utilized to calculate the electronic absorption spectra. Finally, frequency calculations were, also, performed on the optimized geometry.
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