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....
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-01-01
|
| Series: | South African Journal of Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1026918521000664 |
| _version_ | 1818754884239884288 |
|---|---|
| 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 |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-18T05:30:20Z |
| format | Article |
| id | doaj.art-c7a0b31d4422414bbc794694e59833f3 |
| institution | Directory Open Access Journal |
| issn | 1026-9185 |
| language | English |
| last_indexed | 2024-12-18T05:30:20Z |
| publishDate | 2022-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | South African Journal of Chemical Engineering |
| spelling | doaj.art-c7a0b31d4422414bbc794694e59833f32022-12-21T21:19:27ZengElsevierSouth African Journal of Chemical Engineering1026-91852022-01-01394251Inhibition of mild steel corrosion in hydrochloric acid environment by 1-amino-2-mercapto-5-(4-(pyrrol-1-yl)phenyl)-1,3,4-triazoleA.M. Mustafa0F.F. Sayyid1N. Betti2L.M. shaker3M.M. Hanoon4A.A. Alamiery5A.A.H. Kadhum6M.S. Takriff7Production Engineering and Metallurgy, University of Technology, P.O. Box: 10001, Baghdad, IraqProduction Engineering and Metallurgy, University of Technology, P.O. Box: 10001, Baghdad, IraqMaterials Engineering Department, University of Technology-IraqMedical Instruments Technology Engineering, Al Mansour University College, Baghdad 10001, IraqProduction Engineering and Metallurgy, University of Technology, P.O. Box: 10001, Baghdad, IraqDepartment of Chemical and Process Engineering, University Kebangsaan Malaysia (UKM), P.O. Box: 43000, Bangi, Selangor, Malaysia; Energy and renewable energies technology center, University of Technology, Baghdad, 10001 Iraq; Corresponding author.University of Al-Ameed, United StatesDepartment of Chemical and Process Engineering, University Kebangsaan Malaysia (UKM), P.O. Box: 43000, Bangi, Selangor, Malaysia; Chemical and Water Desalination Engineering Program, Collage of Engineering, University of Sharjah, UAEIn 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.http://www.sciencedirect.com/science/article/pii/S1026918521000664Mild steelCorrosionInhibitionAMPPTTriazoleLangmuir |
| spellingShingle | 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 South African Journal of Chemical Engineering Mild steel Corrosion Inhibition AMPPT Triazole Langmuir |
| 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_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_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_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 |
| topic | Mild steel Corrosion Inhibition AMPPT Triazole Langmuir |
| url | http://www.sciencedirect.com/science/article/pii/S1026918521000664 |
| work_keys_str_mv | AT ammustafa inhibitionofmildsteelcorrosioninhydrochloricacidenvironmentby1amino2mercapto54pyrrol1ylphenyl134triazole AT ffsayyid inhibitionofmildsteelcorrosioninhydrochloricacidenvironmentby1amino2mercapto54pyrrol1ylphenyl134triazole AT nbetti inhibitionofmildsteelcorrosioninhydrochloricacidenvironmentby1amino2mercapto54pyrrol1ylphenyl134triazole AT lmshaker inhibitionofmildsteelcorrosioninhydrochloricacidenvironmentby1amino2mercapto54pyrrol1ylphenyl134triazole AT mmhanoon inhibitionofmildsteelcorrosioninhydrochloricacidenvironmentby1amino2mercapto54pyrrol1ylphenyl134triazole AT aaalamiery inhibitionofmildsteelcorrosioninhydrochloricacidenvironmentby1amino2mercapto54pyrrol1ylphenyl134triazole AT aahkadhum inhibitionofmildsteelcorrosioninhydrochloricacidenvironmentby1amino2mercapto54pyrrol1ylphenyl134triazole AT mstakriff inhibitionofmildsteelcorrosioninhydrochloricacidenvironmentby1amino2mercapto54pyrrol1ylphenyl134triazole |