• Experimental and quantum chemical studies on corrosion inhibition performance of fluconazole in hydrochloric acid solution

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      https://www.ias.ac.in/article/fulltext/boms/038/02/0499-0509

    • Keywords

       

      Fluconazole; corrosion inhibition; AFM; chemisorption; quantum chemical studies.

    • Abstract

       

      The corrosion inhibition effect of fluconazole (FLU) was investigated on steel in 1 M hydrochloric acid solution. Weight loss measurements and atomic force microscope analysis were utilized to investigate the corrosion inhibition properties and film formation behaviour of FLU. Quantum chemical approach was also used to calculate some electronic properties of the molecule in neutral and protonated form in order to find any correlation between the inhibition effect and molecular structure of FLU molecule. The results showed that FLU can act as a good corrosion inhibitor for steel in hydrochloric acid solution at different temperatures and it can inhibit steel corrosion up to 95%. The adsorption followed the Langmuir isotherm and the thermodynamic parameters were also determined and discussed. Quantum chemical studies showed that in adsorption process of FLU molecules, nitrogen and oxygen atoms and benzene ring act as active centres.

    • Author Affiliations

       

      P Malekmohammadi Nouri1 M M Attar1

      1. Department of Polymer Engineering and Color Technology, Amirkabir University of Technology, Tehran 4413-15875, Iran
    • Dates

       
  • Bulletin of Materials Science | News

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