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Inhibition of aluminum corrosion in acid solution by environmentally friendly antibacterial corrosion inhibitors: Experimental and theoretical investigations

Protection of Metals and Physical Chemistry of Surfaces volume 53, pages 579–590 (2017)Cite this article

Abstract

The inhibition performance of penicillin G(I), methicillin(II) and nafcillin(III) on the corrosion of aluminum in a 1 M HCl solution has been tested by weight loss, Tafel polarization, scanning electron microscopy (SEM), UV-vis spectrophotometry, molecular dynamics method and quantum chemical calculations. Polarization curves indicate that the studied (I), (III) and (II) act as mixed-type inhibitors. Experimental results show that the inhibition efficiencies follow the order: nafcillin > methicillin > penicillin G. The values of inhibition efficiency and surface coverage were found to follow the order: blank < (I) <(II) <(III). The maximum inhibition efficiency of 85.67% was exhibited by nafcillin, and the minimum inhibition efficiency of 42.07%was showed by penicillin. The adsorption of inhibitors obeys The Frumkin adsorption isotherm. The SEM micrographs confirm the protection of aluminum in a 1 M HCl solution by penicillin G, nafcillin, and methicillin. The shape of the UV/vis spectra of inhibitors in the presence of the immersion of Al showing a strong support to the possibility of the chemisorbed layer formation on Al surface by nafcillin (between nafcillin and aluminum) and physisorption between penicillin and methicillin with aluminum. The density functional theory (DFT) calculations were performed to provide further insight into the inhibition efficiencies that were determined experimentally. Molecular dynamics (MD) simulations were applied to find the most stable configuration and adsorption energies of penicillin G, nafcillin and methicillin molecules on the Al (110) surface. The interaction energy follows the order: (III)> (II)> (I). The results obtained from the experimental and theoretical approaches are in a reasonable agreement.

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Authors and Affiliations

  1. Department of Chemistry, University of Sistan and Baluchestan, Zahedan, Iran

    Sayyed Mostafa Habibi-Khorassani, Mehdi Shahraki, Meissam Noroozifar, Mahdieh Darijani, Maryam Dehdab & Zahra Yavari

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  1. Sayyed Mostafa Habibi-Khorassani
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  2. Mehdi Shahraki
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  3. Meissam Noroozifar
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  4. Mahdieh Darijani
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  5. Maryam Dehdab
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  6. Zahra Yavari
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Correspondence to Mehdi Shahraki.

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Habibi-Khorassani, S.M., Shahraki, M., Noroozifar, M. et al. Inhibition of aluminum corrosion in acid solution by environmentally friendly antibacterial corrosion inhibitors: Experimental and theoretical investigations. Prot Met Phys Chem Surf 53, 579–590 (2017). https://doi.org/10.1134/S2070205117030078

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  • DOI: https://doi.org/10.1134/S2070205117030078

Keywords

  • corrosion
  • metals
  • green chemistry
  • modelling
  • spectroscopy