文献类型：期刊文献

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

作者：Yan, Ying[1,2];Li, Weihua[2];Cai, Lankun[1];Hou, Baorong[2]

机构：[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

年份：2008

卷号：53

期号：20

起止页码：5953

外文期刊名：ELECTROCHIMICA ACTA

收录：;EI(收录号：20082211283431);WOS:【SCI-EXPANDED(收录号:WOS:000257011400013)】；

语种：英文

外文关键词：purines; mild steel; corrosion inhibitor; electrochemical measurement; quantum chemical calculation

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 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.