标题：(Z)-2-(2-benzylidene-3-oxo-2,3-dihydro[1,4]-benzothiazin-4-yl)acetic acid as a New Corrosion Inhibitor for Mild Steel in hydrochloric acid and Quantum Chemical study
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：11
页码：4160-4170
出版社：University of Mohammed Premier Oujda
摘要：Inhibition performance of [(Z)-2-(2-benzylidene-3-oxo-2,3-dihydro[1,4]-benzothiazin-4-yl)acetic acid]: (P1), has been synthesized and characterized by NMR spectroscopy. The corrosion behavior of MS surface in 1.0 M HCl was investigated by gravimetric, analytical methods potentiodynamic polarization and electrochemical impedance spectroscopy and supported by quantum chemical calculation. The inhibition efficiency of P1 was found to increase with increasing inhibitor concentration. The E% reached 90% at 10-3M. Polarization studies showed that this compound was cathodic inhibitor. The inhibition actions of P1 were discussed in view of blocking the electrode surface by means of adsorption of inhibitor molecule obeying Langmuir adsorption isotherm. Data obtained for inhibition efficiency from the two test techniques are in reasonably good agreement with quantum chemical parameters calculated at DFT/B3LYB/6-31G (d, p).
关键词：Benzothiazine; Corrosion; EIS ; Inhibitor; DFT; Fukui function ; MS
