Sulphonamides as corrosion inhibitor: Experimental and DFT studies

Hasan R. Obayes, Ahmed A. Al-Amiery, Ghadah H. Alwan, Thamer Adnan Abdullah, Abdul Amir H. Kadhum, Abu Bakar Mohamad

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

Inhibitors are synthetic and natural molecules have various functional groups like double or triple bonds and heteroatoms; N, O or S, which permit adsorption onto the MS (metal surface). These inhibitors have the ability to adsorb onto the MS and block the active site that was reducing the corrosion rate. Inhibition efficiencies of the investigated compounds: Sulfacetamide (SAM), Sulfamerazine (SMR), Sulfapyridine (SPY) and Sulfathiazole (STI), as inhibitors in corrosive solution were evaluated based on weight loss technique. Nitro and Amino groups were chosen for the study of the substituted reaction of four corrosion inhibitor compounds: SAM, SMR, SPY and STI, theoretically utilizing the thickness capacities hypothesis DFT (density functions theory) method with the level [rB3LYP/6-311G(d,p)]. Our research demonstrated that the nitration of studied molecules lead to a diminishing in inhibition efficiencies, group lead to an increase in inhibition efficiency. Compared with corrosion inhibitor molecules these results gave a significant improvement in inhibition efficiency for corrosion inhibitor molecules.

Original languageEnglish
Pages (from-to)27-34
Number of pages8
JournalJournal of Molecular Structure
Volume1138
DOIs
Publication statusPublished - 15 Jun 2017

Fingerprint

Sulfonamides
Corrosion inhibitors
Probability density function
Sulfamerazine
Sulfacetamide
Sulfapyridine
Molecules
Metals
Nitration
Caustics
Corrosion rate
Functional groups
Adsorption
sulfathiazole

Keywords

  • Amino
  • Corrosion
  • DFT
  • Inhibitor
  • Nitro
  • Weight loss technique

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

Cite this

Obayes, H. R., Al-Amiery, A. A., Alwan, G. H., Abdullah, T. A., Kadhum, A. A. H., & Mohamad, A. B. (2017). Sulphonamides as corrosion inhibitor: Experimental and DFT studies. Journal of Molecular Structure, 1138, 27-34. https://doi.org/10.1016/j.molstruc.2017.02.100

Sulphonamides as corrosion inhibitor : Experimental and DFT studies. / Obayes, Hasan R.; Al-Amiery, Ahmed A.; Alwan, Ghadah H.; Abdullah, Thamer Adnan; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar.

In: Journal of Molecular Structure, Vol. 1138, 15.06.2017, p. 27-34.

Research output: Contribution to journalArticle

Obayes, HR, Al-Amiery, AA, Alwan, GH, Abdullah, TA, Kadhum, AAH & Mohamad, AB 2017, 'Sulphonamides as corrosion inhibitor: Experimental and DFT studies', Journal of Molecular Structure, vol. 1138, pp. 27-34. https://doi.org/10.1016/j.molstruc.2017.02.100
Obayes HR, Al-Amiery AA, Alwan GH, Abdullah TA, Kadhum AAH, Mohamad AB. Sulphonamides as corrosion inhibitor: Experimental and DFT studies. Journal of Molecular Structure. 2017 Jun 15;1138:27-34. https://doi.org/10.1016/j.molstruc.2017.02.100
Obayes, Hasan R. ; Al-Amiery, Ahmed A. ; Alwan, Ghadah H. ; Abdullah, Thamer Adnan ; Kadhum, Abdul Amir H. ; Mohamad, Abu Bakar. / Sulphonamides as corrosion inhibitor : Experimental and DFT studies. In: Journal of Molecular Structure. 2017 ; Vol. 1138. pp. 27-34.
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