文章基本信息

标题：Corrosion inhibition of carbon steel in 1M HCl by 1,5-benzodiazepine derivative: Experimental and molecular modeling studies
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作者：El Aoufir Y. ; Sebhaoui J. ; Lgaz H. 等
期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2017
卷号：8
期号：6
页码：2161-2173
出版社：University of Mohammed Premier Oujda
摘要：1,5-Benzodiazepine derivative namely, 4Z-(2-Oxopropyl)-1,3-bis(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (BZD-1) has been evaluated as corrosion inhibitor for carbon steel in 1M HCl acid by electrochemical impedance spectroscopy (EIS) and potentiodynamic curves techniques. The obtained results showed that BZD-1 is an efficient corrosion inhibitor and an inhibition efficiency of 97% was reached with 1×10-3 M of BZD-1. The protection efficiency increased with increasing inhibitor concentration, but the temperature has significantly effect on the inhibition efficiency of BZD-1. Tafel polarization studies revealed that BZD-1 is mixed type inhibitor. The adsorption of BZD-1 on the surface of carbon steel obeyed the Langmuir adsorption isotherm. The adsorption behavior of the BZD-1 on Fe (110) surface was investigated by Monte Carlo simulations to verify its corrosion inhibition steel efficacy. The adsorption energy between inhibitor and carbon steel has been calculated by Monte Carlo simulations.
关键词：Corrosion inhibition; 1;5;Benzodiazepine derivative; Carbon steel; Hydrochloric acid; Electrochemical techniques; Simulation