Electrochemical and quantum chemical study of purines as corrosion inhibitors for mild steel in 1 M HCl solution

doi:10.1016/j.electacta.2008.03.065

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	Electrochemical and quantum chemical study of purines as corrosion inhibitors for mild steel in 1 M HCl solution
	Yan, Ying 1,2; Li, Weihua 2; Cai, Lankun 1; Hou, Baorong 2
刊名	ELECTROCHIMICA ACTA
	2008-08-20
卷号	53 期号:20 页码:5953-5960
关键词	Purines Mild Steel Corrosion Inhibitor Electrochemical Measurement Quantum Chemical Calculation
ISSN号	0013-4686
DOI	10.1016/j.electacta.2008.03.065
文献子类	Article
英文摘要	The purines and its derivatives, such as, guanine, adenine, 2,6-diaminopurine, 6-thioguanine and 2,6-dithiopurine, were investigated as corrosion inhibitors for mild steel in 1 M HCl solution by weight loss measurements, electrochemical tests and quantum chemical calculations. The polarization curves of mild steel in the hydrochloric acid solutions of the purines showed that both cathodic and anodic processes of steel corrosion were suppressed. The Nyquist plots of impedance expressed mainly as a depressed capacitive loop with different compounds and concentrations. For all these purines, the inhibition efficiency increased by increasing the inhibitor concentration, and the inhibition efficiency orders are 2,6-dithiopurine > 6-thioguanine > 2,6-diaminopurine > adenine > guanine with the highest inhibiting efficiency of 88.0% for 10(-3) M 2,6-dithiopurine.; The purines and its derivatives, such as, guanine, adenine, 2,6-diaminopurine, 6-thioguanine and 2,6-dithiopurine, were investigated as corrosion inhibitors for mild steel in 1 M HCl solution by weight loss measurements, electrochemical tests and quantum chemical calculations. The polarization curves of mild steel in the hydrochloric acid solutions of the purines showed that both cathodic and anodic processes of steel corrosion were suppressed. The Nyquist plots of impedance expressed mainly as a depressed capacitive loop with different compounds and concentrations. For all these purines, the inhibition efficiency increased by increasing the inhibitor concentration, and the inhibition efficiency orders are 2,6-dithiopurine > 6-thioguanine > 2,6-diaminopurine > adenine > guanine with the highest inhibiting efficiency of 88.0% for 10(-3) M 2,6-dithiopurine. The optimized structures of purines, the Mulliken charges, molecular orbital densities and relevant parameters were calculated by quantum chemical calculations. The quantum chemical calculation results inferred that the adsorption belong to physical adsorption, which might arise from the pi stacking between the pi electron of the purines and the metal surface. (C) 2008 Elsevier Ltd. All rights reserved.
学科主题	Electrochemistry
URL标识	查看原文
语种	英语
WOS记录号	WOS:000257011400013
公开日期	2010-12-24
内容类型	期刊论文
源URL	[http://ir.qdio.ac.cn/handle/337002/5179]
专题	海洋研究所_海洋腐蚀与防护研究发展中心
作者单位	1.E China Univ Sci & Technol, Coll Resource & Environm Engn, Shanghai 200237, Peoples R China 2.Chinese Acad Sci, Inst Oceanol, Qingdao 26607, Peoples R China
推荐引用方式 GB/T 7714	Yan, Ying,Li, Weihua,Cai, Lankun,et al. Electrochemical and quantum chemical study of purines as corrosion inhibitors for mild steel in 1 M HCl solution[J]. ELECTROCHIMICA ACTA,2008,53(20):5953-5960.
APA	Yan, Ying,Li, Weihua,Cai, Lankun,&Hou, Baorong.(2008).Electrochemical and quantum chemical study of purines as corrosion inhibitors for mild steel in 1 M HCl solution.ELECTROCHIMICA ACTA,53(20),5953-5960.
MLA	Yan, Ying,et al."Electrochemical and quantum chemical study of purines as corrosion inhibitors for mild steel in 1 M HCl solution".ELECTROCHIMICA ACTA 53.20(2008):5953-5960.