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

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Abstract

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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Acknowledgements

The authors are greatly thankful to Mining and Metallurgy National High School (ENSMM), Annaba, Algeria for SEM/EDS characterization measurements.

Funding

This research received no external funding.

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Authors and Affiliations

  1. Laboratory of Nanomaterials-Corrosion and Surface Treatment, Badji Mokhtar University, BP. 12, 23000, Annaba, Algeria

    Sihem Ouchenane

  2. Department of Oil and Gas, Faculty of Engineering, BaniWaleed University, Bani Waleed, Libya

    Ramzi. T. T. Jalgham

  3. Laboratoire D’Elaboration Et D’Analyse Des Materiaux, Badji Mokhtar University, BP. 12, 23000, Annaba, Algeria

    Sarra Rezgoun

  4. Laboratory of Inorganic Materials Chemistry, Badji Mokhtar University, BP. 12, 23000, Annaba, Algeria

    Hayette Saifi

  5. Department of Physics, College of Science, University of Bahrain, Zallaq, Kingdom of Bahrain

    Mohamed Bououdina

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  1. Sihem Ouchenane
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  2. Ramzi. T. T. Jalgham
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  3. Sarra Rezgoun
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  4. Hayette Saifi
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  5. Mohamed Bououdina
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Contributions

SO and HS conceptualization, SR software, SO and MB validation, RJ data curation and theoretical study, SO writing—original draft preparation, MB visualization and supervision. All authors read and approved the final manuscript.

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Correspondence to Sihem Ouchenane.

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Ouchenane, S., Jalgham, R.T.T., Rezgoun, S. et al. Experimental and Theoretical Studies of the Corrosion Inhibition Properties of 2 Amino, 4–6-Dimethylpyrimidine for Mild Steel in 0.5 M H2SO4. Chemistry Africa 4, 621–633 (2021). https://doi.org/10.1007/s42250-021-00239-7

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  • DOI: https://doi.org/10.1007/s42250-021-00239-7

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