Carbethoxythiazole corrosion inhibitor

As an experimentally model and DFT theory

Dalia M. Jamil, Ahmed K. Al-Okbi, Mahdie M. Hanon, Khalid S. Rida, Ayad F. Alkaim, Ahmed A. Al-Amiery, Abdulhadi Kadhim, Abdul Amir H. Kadhum

Research output: Contribution to journalArticle

Abstract

Inhibitor for mild steel derived from carbethoxythiazole namely 2-amino-4-methyl-5-carbethoxythiazole was synthesized and the chemical structure was elucidating by fourier transform in frared and nuclear magnetic resonance spectroscopies. The inhibition efficiency for 2-amino-4-methyl-5-carbethoxythiazole to inhibit the damage effects for mild steel of corrosion in 1 M hydrochloric acid solution was figured and was 82.5% regarding to weight loss technique. Scanning electron microscopy was used as a confirmation of ability of 2-Amino-4-Methy l-5-Carbethoxythiazole (AMC) to inhibit the corrosion of specimens of mild steel surface. The standard free energy of adsorption and adsorption equilibrium constant were calculated and the adsorption of 2-amino-4-methy l-5-carbethoxythiazole on surface of mild steel was obey adsorption isotherm of Langmuir. To proof the methodological findings, density function theory at the B3LYP/6-311+G** level of theory was used to calculate highest occupied with lowest unoccupied molecular orbitals energies and dipole moment.

Original languageEnglish
Pages (from-to)3952-3959
Number of pages8
JournalJournal of Engineering and Applied Sciences
Volume13
Issue number11
DOIs
Publication statusPublished - 1 Jan 2018

Fingerprint

Corrosion inhibitors
Discrete Fourier transforms
Carbon steel
Adsorption
Corrosion
Dipole moment
Equilibrium constants
Molecular orbitals
Hydrochloric acid
Adsorption isotherms
Probability density function
Nuclear magnetic resonance spectroscopy
Free energy
Fourier transforms
Scanning electron microscopy

Keywords

  • Carbethoxyhazole
  • CHN
  • Corrosion inhibitor
  • FT-IR
  • Inhibit
  • NMR

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Carbethoxythiazole corrosion inhibitor : As an experimentally model and DFT theory. / Jamil, Dalia M.; Al-Okbi, Ahmed K.; Hanon, Mahdie M.; Rida, Khalid S.; Alkaim, Ayad F.; Al-Amiery, Ahmed A.; Kadhim, Abdulhadi; Kadhum, Abdul Amir H.

In: Journal of Engineering and Applied Sciences, Vol. 13, No. 11, 01.01.2018, p. 3952-3959.

Research output: Contribution to journalArticle

Jamil, DM, Al-Okbi, AK, Hanon, MM, Rida, KS, Alkaim, AF, Al-Amiery, AA, Kadhim, A & Kadhum, AAH 2018, 'Carbethoxythiazole corrosion inhibitor: As an experimentally model and DFT theory', Journal of Engineering and Applied Sciences, vol. 13, no. 11, pp. 3952-3959. https://doi.org/10.3923/jeasci.2018.3952.3959
Jamil, Dalia M. ; Al-Okbi, Ahmed K. ; Hanon, Mahdie M. ; Rida, Khalid S. ; Alkaim, Ayad F. ; Al-Amiery, Ahmed A. ; Kadhim, Abdulhadi ; Kadhum, Abdul Amir H. / Carbethoxythiazole corrosion inhibitor : As an experimentally model and DFT theory. In: Journal of Engineering and Applied Sciences. 2018 ; Vol. 13, No. 11. pp. 3952-3959.
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AU - Alkaim, Ayad F.

AU - Al-Amiery, Ahmed A.

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AB - Inhibitor for mild steel derived from carbethoxythiazole namely 2-amino-4-methyl-5-carbethoxythiazole was synthesized and the chemical structure was elucidating by fourier transform in frared and nuclear magnetic resonance spectroscopies. The inhibition efficiency for 2-amino-4-methyl-5-carbethoxythiazole to inhibit the damage effects for mild steel of corrosion in 1 M hydrochloric acid solution was figured and was 82.5% regarding to weight loss technique. Scanning electron microscopy was used as a confirmation of ability of 2-Amino-4-Methy l-5-Carbethoxythiazole (AMC) to inhibit the corrosion of specimens of mild steel surface. The standard free energy of adsorption and adsorption equilibrium constant were calculated and the adsorption of 2-amino-4-methy l-5-carbethoxythiazole on surface of mild steel was obey adsorption isotherm of Langmuir. To proof the methodological findings, density function theory at the B3LYP/6-311+G** level of theory was used to calculate highest occupied with lowest unoccupied molecular orbitals energies and dipole moment.

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