Enhanced corrosion resistance of mild steel in 1 M HCl solution by trace amount of 2-phenyl-benzothiazole derivatives: Experimental, quantum chemical calculations and molecular dynamics (MD) simulation studies

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• 作者：Zohreh Salarvand^a ; Mehdi Amirnasr^a ; ^{amirnasr@cc.iut.ac.ir} ; ^{maamirnasr@gmail.com} ; Milad Talebian^b ; Keyvan Raeissi^b ; Soraia Meghdadi^a ; ^{smeghdad@cc.iut.ac.ir}
• 关键词：A. Mild steel ; B. Polarization ; B. EIS ; B. Weight loss ; B. Modeling study ; C. Acid inhibition
• 刊名：Corrosion Science
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：114
• 期：Complete
• 页码：133-145
• 全文大小：4026 K
• 卷排序：114

文摘

Green synthesized benzothiazole derivatives as inhibitors on mild steel in 1 M HCl. The inhibition efficiency of N-dimethylbenzothiazole is >95% at 50 ppm (by weight). These benzothiazole compounds act as mixed-type and adsorption inhibitors. The conflict between experimental results and DFT is explained by MD simulation. Both the molecular electronic and structure are effective in the inhibition process.