title: Experimental and theoretical studies on the corrosion inhibition of copper by two indazole derivatives in 3.0% NaCl solution.
abstract: Corrosion experiments and theoretical calculations were performed to investigate the inhibition mechanism of indazole (IA) and 5-aminoindazole (AIA) for copper in NaCl solution. The results obtained from weight loss and electrochemical experiments are in good agreement, and reveal that these compounds are high-efficiency inhibitors with inhibition efficiency order: AIA>IA, which was further confirmed by field emission scanning electronic microscope (FESEM) observation. Besides, the quantum chemical calculations and molecular dynamics (MD) simulation showed that both studied inhibitors are adsorbed strongly on the copper surface in parallel mode. The adsorption of these molecules on copper substrate was found to obey Langmuir isotherm.
authors.affiliation: College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China.
authors.forename: Yujie
authors.initials: Y
authors.lastname: Qiang
authors.affiliation: College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China. Electronic address: stzhang_cqu@163.com.
authors.forename: Shengtao
authors.initials: S
authors.lastname: Zhang
authors.affiliation: College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China.
authors.forename: Shenying
authors.initials: S
authors.lastname: Xu
authors.affiliation: College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China.
authors.forename: Wenpo
authors.initials: W
authors.lastname: Li
keywords: Adsorption; Copper; Corrosion inhibition; Electrochemical test; Molecular dynamic simulation; Quantum chemical calculation