Experimental and Theoretical Studies of the Corrosion Inhibition Properties of 2 Amino, 4–6-Dimethylpyrimidine for Mild Steel in 0.5 M H2SO4

被引：0
作者：
Sihem Ouchenane
Ramzi. T. T. Jalgham
Sarra Rezgoun
Hayette Saifi
Mohamed Bououdina
机构：
[1] Badji Mokhtar University,Laboratory of Nanomaterials
[2] BaniWaleed University,Corrosion and Surface Treatment
[3] Badji Mokhtar University,Department of Oil and Gas, Faculty of Engineering
[4] Badji Mokhtar University,Laboratoire D’Elaboration Et D’Analyse Des Materiaux
[5] University of Bahrain,Laboratory of Inorganic Materials Chemistry
来源：
Chemistry Africa | 2021年 / 4卷
关键词：
Mild steel; 2 Amino; 4–6-dimethylpyrimidine; EIS; Polarization curves; Corrosion inhibition; DFT;
D O I：
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学科分类号：
摘要：
This work aims to study the inhibition ability of 2 Amino,4–6-imethylpyrimidine (ADMP) compound on the corrosion behavior of mild steel in 0.5 M sulfuric acid solution using electrochemical measurements and surface characterization. In addition, quantum chemical calculations were performed to investigate the inhibition mechanism. Monte Carlo simulations were utilized to determine the adsorption energy and configuration arrangement ADMP to the metal surface. The obtained results indicate that ADMP exhibits good inhibition performance for mild steel corrosion in acidic medium and acts as mixed-type inhibitor. The inhibition efficiency increases with the inhibitor concentration to reach 87%. Quantum chemical calculation and molecular dynamics (MD) simulation methods reveal that the inhibitor acts through the formation of a protective layer at the metal surface by the adsorption of its molecules onto mild steel surface. The adsorption is a mixed type of physical and chemical interactions and obeys Langmuir adsorption isotherm.
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页码：621 / 633
页数：12
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