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标题：Electrochemical and theoretical studies of adsorption and corrosion inhibition of 1-methyl-4-methylsulfanyl- 1H-pyrazolo[3,4-d]pyrimidine on mild steel in acidic solution
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作者：Bouhoud J. ; El Fal M. ; Ramli Y. 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：1935-1947
出版社：University of Mohammed Premier Oujda
摘要：The inhibition effect of 1-methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine (MMPP) on the corrosion of mild steel in 1.0 M HCl solutionusing electrochemical techniques (electrochemical impedance spectroscopy andpotentiodynamic polarization). The results show that synthesized pyrimidinederivative is excellent inhibitor even with very low concentration, and theadsorption on mild steel surface obeys Langmuir adsorption isotherm. Thepotentiodynamic polarization results indicated that the studied inhibitor act asmixed type. Adsorption of used inhibitor led to a reduction in the double layercapacitance and an increase in the charge transfer resistance. Thermodynamicand activation parameters were discussed. Calculated ads G  value indicated thatthe adsorption mechanism of the prepared pyrimidine derivative on mild steelin 1.0 M HCl solution is a chemical adsorption. Quantum chemical calculationswere used to correlate the inhibition ability of MMPP with its electronicstructural parameters.
关键词：Mild Steel; Corrosion; Inhibition; Pyrazolo[3;4;d]pyrimidine derivative; DFT