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Protection of Steel Against Corrosion in Acid Medium Using Dihydropyrimidinone Derivatives: Experimental and DFT Study

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Abstract

Two dihydropyrimidinone derivatives (DHPM) were synthesized via the multi-component reaction, the yield of the synthesis reached 90%, and their structures were proved by IR, 1H and 13C NMR spectroscopy. The identified molecules were used for studying the corrosion inhibition of XC48 carbon steel in 0.5 mol L−1 H2SO4 solution. The inhibitory potentials of these compounds were determined by electrochemical methods exploiting the potentiodynamic polarization curves (Tafel method) and electrochemical impedance spectroscopy. Surface phenomena have been illustrated by atomic force microscopy. The results obtained show that the synthesized molecules are effective inhibitors, whose efficiency corrosion inhibition depends on the architecture of their structure, and it is proportional to the concentrations; it exceeds 94% for one of these inhibitors. The adsorption of these compounds on the metal surface approached the Langmuir’s adsorption isotherm. Furthermore, the electronic properties obtained using density function theory are in a good consensus with the experimental efficiencies of inhibition. The molecular dynamics simulations have allowed also simulating the interactions between the inhibitors and the metallic surface.

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Acknowledgements

This research was supported by the General Directorate for Scientific Research and Technological Development (DGRSDT), Algerian Ministry of Scientific Research, Laboratory of Electrochemistry of Molecular Materials and Complex (LEMMC), Ferhat ABBAS University of Setif.

Funding

This research was supported by the General Directorate for Scientific Research and Technological Development (DGRSDT), Algerian Ministry of Scientific Research, Laboratory of Electrochemistry of Molecular Materials and Complex (LEMMC), Ferhat ABBAS University of Sétif.

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Authors and Affiliations

  1. Laboratory of Electrochemistry of Molecular Materials and Complex (LEMMC), Department of Process Engineering, Faculty of Technology, University of Ferhat ABBAS Sétif-1, El Maabouda, 19000, Setif, Algeria

    Samia Mammeri, Nadjib Chafai, Rachida Kerkour & Salah Chafaa

  2. Institute of Hygiene and Industrial Safety, University Mustapha Ben Boulaid, Batna-2, 05000, Fisdis, Batna, Algeria

    Samia Mammeri

  3. Laboratory of Physio-Toxicology, Cellular and Molecular-Bimolecular Pathology, Department of Pharmacy, Faculty of Medicine, University of Batna-2, 05000, Batna-2, Algeria

    Hassina Harkat

Authors
  1. Samia Mammeri
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  2. Nadjib Chafai
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  3. Hassina Harkat
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  4. Rachida Kerkour
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  5. Salah Chafaa
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Contributions

SM (PhD student) contributed to writing, project administration, data curation, formal analysis, methodology and resources; HH (Professor) contributed to synthesis route and preparation of the studied inhibitors, project administration, resources and investigation; NC (Doctor) contributed to project administration, theoretical studies and review, resources and investigation; RK (PhD student) was involved in electrochemical Measurements; and SC (Professor) contributed to project administration, review & editing, investigation, funding acquisition and validation.

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Correspondence to Nadjib Chafai.

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Mammeri, S., Chafai, N., Harkat, H. et al. Protection of Steel Against Corrosion in Acid Medium Using Dihydropyrimidinone Derivatives: Experimental and DFT Study. Iran J Sci Technol Trans Sci 45, 1607–1619 (2021). https://doi.org/10.1007/s40995-021-01140-1

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  • DOI: https://doi.org/10.1007/s40995-021-01140-1

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