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Quantum chemical elucidation on corrosion inhibition efficiency of Schiff base: DFT investigations supported by weight loss and SEM techniques

Author

Listed:
  • Ahmed Al-Amiery
  • Taghried A Salman
  • Khalida F Alazawi
  • Lina M Shaker
  • Abdul Amir H Kadhum
  • Mohd S Takriff

Abstract

The corrosion inhibition of Schiff base, namely 2-((2-hydroxy-5-methoxybenzylidene)amino)pyridine (HMAP), for mild steel (MS) in a 1 M hydrochloric acid environment was investigated by means of weight loss and scanning electron microscopy techniques. Quantum chemical calculation based on density functional theory (DFT) was carried out on HMAP. Results illustrated that HMAP is a superior inhibitor for the corrosion of MS in 1.0M hydrochloric acid environment, and inhibition efficiency is higher than 90.0% at 0.5 g/L HMAP. Inhibition performance increases with regard to concentration increase and inhibition performance decreases when raising temperature. Adsorption of the inhibitor on the MS surface followed Langmuir adsorption isotherm and the value of the free energy of adsorption; ΔGads indicated that the adsorption of HMAP was a physisorption/chemisorption process. The DFT refers to perfect correlation with methodological inhibition performance.

Suggested Citation

  • Ahmed Al-Amiery & Taghried A Salman & Khalida F Alazawi & Lina M Shaker & Abdul Amir H Kadhum & Mohd S Takriff, 0. "Quantum chemical elucidation on corrosion inhibition efficiency of Schiff base: DFT investigations supported by weight loss and SEM techniques," International Journal of Low-Carbon Technologies, Oxford University Press, vol. 15(2), pages 202-209.
  • Handle: RePEc:oup:ijlctc:v:15:y::i:2:p:202-209.
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    File URL: http://hdl.handle.net/10.1093/ijlct/ctz074
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