Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole

In the current investigation, a triazole, namely 1-Amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole (AMPPT), was synthesized and characterized using ¹H and ¹³C nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) spectroscopies in addition to CHN micro elemental analysis....

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Autores principales:	A.M. Mustafa, F.F. Sayyid, N. Betti, L.M. shaker, M.M. Hanoon, A.A. Alamiery, A.A.H. Kadhum, M.S. Takriff
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2022
Materias:	Mild steel Corrosion Inhibition AMPPT Triazole Langmuir Chemical engineering TP155-156
Acceso en línea:	https://doaj.org/article/c7a0b31d4422414bbc794694e59833f3
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spelling	oai:doaj.org-article:c7a0b31d4422414bbc794694e59833f32021-11-20T04:56:06ZInhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole1026-918510.1016/j.sajce.2021.11.009https://doaj.org/article/c7a0b31d4422414bbc794694e59833f32022-01-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S1026918521000664https://doaj.org/toc/1026-9185In the current investigation, a triazole, namely 1-Amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole (AMPPT), was synthesized and characterized using ¹H and ¹³C nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) spectroscopies in addition to CHN micro elemental analysis. A preliminary study of the title compound as corrosion inhibitor for mild steel in 1 M hydrochloric acid solution was evaluated by performing gravimetrical, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements in addition to scanning electronic microscope (SEM). The obtained experimental results indicated that AMPPT works perfectly as a corrosion inhibitor for mild steel in 1 M HCl solution and its effectiveness is up to 96.3% at 500 ppm and corrosion inhibition efficiency increase with increasing the concentration of tested inhibitor, suggests that the adsorption of AMPPT molecules on the mild steel surface obeyed the Langmuir adsorption model. Polarization measurements show that the studied inhibitor is a mixed type. EIS measurements revealed that the charge transfer resistance increases with increasing concentration of AMPPT. The free energy (ΔGoads) value showed that the adsorption of AMPPT molecules suggesting a mixed-mode of physisorption and chemisorption. Density functional theory (DFT) calculations were performed on AMPPT molecules to determine the quantum parameters and the relationship between the inhibitor structure and inhibiting efficiency. The molecular parameters, such as energy gap and frontier molecular orbitals (HOMO and LUMO), the absolute electronegativity (χ) value, and the fraction transfer of electrons (∆N) were also calculated and correlated with inhibition activity. The theoretical outcomes showed that the inhibition efficiency of AMPPT increased with the increase the energy of HOMO, and the nitrogen and sulphur atoms are the most likely sites for bonding by giving electrons to the unoccupied 3d-orbitals of Fe atoms on the mild steel surface.A.M. MustafaF.F. SayyidN. BettiL.M. shakerM.M. HanoonA.A. AlamieryA.A.H. KadhumM.S. TakriffElsevierarticleMild steelCorrosionInhibitionAMPPTTriazoleLangmuirChemical engineeringTP155-156ENSouth African Journal of Chemical Engineering, Vol 39, Iss , Pp 42-51 (2022)
institution	DOAJ
collection	DOAJ
language	EN
topic	Mild steel Corrosion Inhibition AMPPT Triazole Langmuir Chemical engineering TP155-156
spellingShingle	Mild steel Corrosion Inhibition AMPPT Triazole Langmuir Chemical engineering TP155-156 A.M. Mustafa F.F. Sayyid N. Betti L.M. shaker M.M. Hanoon A.A. Alamiery A.A.H. Kadhum M.S. Takriff Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole
description	In the current investigation, a triazole, namely 1-Amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole (AMPPT), was synthesized and characterized using ¹H and ¹³C nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR) spectroscopies in addition to CHN micro elemental analysis. A preliminary study of the title compound as corrosion inhibitor for mild steel in 1 M hydrochloric acid solution was evaluated by performing gravimetrical, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements in addition to scanning electronic microscope (SEM). The obtained experimental results indicated that AMPPT works perfectly as a corrosion inhibitor for mild steel in 1 M HCl solution and its effectiveness is up to 96.3% at 500 ppm and corrosion inhibition efficiency increase with increasing the concentration of tested inhibitor, suggests that the adsorption of AMPPT molecules on the mild steel surface obeyed the Langmuir adsorption model. Polarization measurements show that the studied inhibitor is a mixed type. EIS measurements revealed that the charge transfer resistance increases with increasing concentration of AMPPT. The free energy (ΔGoads) value showed that the adsorption of AMPPT molecules suggesting a mixed-mode of physisorption and chemisorption. Density functional theory (DFT) calculations were performed on AMPPT molecules to determine the quantum parameters and the relationship between the inhibitor structure and inhibiting efficiency. The molecular parameters, such as energy gap and frontier molecular orbitals (HOMO and LUMO), the absolute electronegativity (χ) value, and the fraction transfer of electrons (∆N) were also calculated and correlated with inhibition activity. The theoretical outcomes showed that the inhibition efficiency of AMPPT increased with the increase the energy of HOMO, and the nitrogen and sulphur atoms are the most likely sites for bonding by giving electrons to the unoccupied 3d-orbitals of Fe atoms on the mild steel surface.
format	article
author	A.M. Mustafa F.F. Sayyid N. Betti L.M. shaker M.M. Hanoon A.A. Alamiery A.A.H. Kadhum M.S. Takriff
author_facet	A.M. Mustafa F.F. Sayyid N. Betti L.M. shaker M.M. Hanoon A.A. Alamiery A.A.H. Kadhum M.S. Takriff
author_sort	A.M. Mustafa
title	Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole
title_short	Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole
title_full	Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole
title_fullStr	Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole
title_full_unstemmed	Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole
title_sort	inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole
publisher	Elsevier
publishDate	2022
url	https://doaj.org/article/c7a0b31d4422414bbc794694e59833f3
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Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazole

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