Theoretical and Experimental Study of a New Imidazo (1,2-a) Pyridine Derivative as a Corrosion Inhibitor for the Carbon Steel Surface in the Saline Media
Keywords:
Imidazo[1,2-a]pyridine, Corrosion inhibitors, Quantum chemical calculations, Thermodynamic parametersAbstract
Newly synthesis derivative of imidazo (1,2-a) pyridine namely, 2-(4-Bromo-phenyl)-2,3-dihydro-imidazo[1,2-a] pyridine-3-yl methylene]- phenyl-amine (BDIPMA) was investigated as corrosion inhibitor for carbon steel in saline solution (3.5% NaCl) using potentiometric polarization measurements. Experimentally, the thermodynamic parameters obtained have supported a physical adsorption mechanism and the adsorption followed the Langmuir adsorption isotherm. Quantum mechanical method of the Density Functional Theory (DFT) of B3LYP with [6-311++G (2d, 2p)] level were used to calculate the optimized structure, chemical inhibition efficiency parameter (%IE) and physical properties in vacuum and two solvents (DMSO and H2O), all at the equilibrium geometry. The surface changes of the carbon steel were studied using SEM and AFM techniques.
References
[1] Kubba, R. M.; Challoob, D. A.; Hussen, S. M.; “Quantum Mechanical And Electrochemical Study of New Isatin Derivative as Corrosion Inhibitor for Carbon Steel in 3.5 % NaCl”; Int. J. Sci. Res. 6 (7), 1656-1669, 2017.
[2] David, A.; “Predicting the Performance of Organic Corrosion Inhibitors”; Metals 7(553), 1-8, 2017.
[3] Aouniti, A.; Elmsellema, H.; Tighadouini, S.; Elazzouzi, M.; Radi, S.; Chetouani, A.; Hammouti, B.; Zarrouk, A.; “Schiff’s Base Derived from 2-Acetyl Thiophene as Corrosion Inhibitor of Steel in Acidic Medium” J. Taibah Univ. Sci. 10, 774-785, 2016.
[4] Khaled, K. F.; “Studies of Iron Corrosion Inhibition Using Chemical, Electrochemical and Computer Simulation Techniques”; Electrochimica Acta 55, 6523–653, 2010.
[5] Gutiérreza, E.; Rodrígueza, J.; Borbollaa, J., Rodrígueza J.; Thangarasu, P.; “Development of a Predictive Model for Corrosion Inhibition of Carbon Steel by Imidazole and Benzimidazole Derivatives” Corrosion Science 108, 23-35, 2016.
[6] Shaban, S. M.; “N-(3-(Dimethyl Benzyl Ammonio) Propyl) Alkanamide Chloride Derivatives as Corrosion Inhibitors for Mild Steel in 1 M Hcl Solution: Experimental and Theoretical Investigation”; Res. Advances 6, 39784-39800, 2016.
[7] Zhang, J.; Qiao, G.; Hu, S.; Yan, Y.; Ren, Z.; Yu, L.; Theoretical Evaluation of Corrosion Inhibition Performance of Imidazoline Compounds with Different Hydrophilic Groups”; Corrosion Science 53, 147-152, 2011.
[8] Sallom, K. J.; “Synthesis and Biological Activity Evaluation of New Imidazo and Bis Imidazo (1,2-A) Pyridine Derivatives”; M.Sc. Thesis, University of Baghdad, College of Science, Baghdad, Iraq; 2019.
[9] Duboscq, J.; Sabot, R.; Jeannin, M.; Refait, P.; “Localized Corrosion of Carbon Steel in Seawater: Processes Occurring in Cathodic Zones”; Mat. Corr. 70(6), 941-1140, 2019.
[10] Frisch, M. J.; Pople, J. A.; “Gaussian 09, Revision E. 01. Gaussian, Inc., Wallingford Ct.; 2009.
[11] Becke, A.; “Density–Functional Thermo-Chemistry: iii. The Role of Exact Exchange”; J. Chem. Phys. 98, 5648-5652, 1993.
[12] Fleming, I.; “Frontier Orbitals and Organic Chemical Reactions”; John Wiley and Sons, Newyork; 1976.
[13] Zhang, J.; Liu, J.; Yu, W.; Yan, Y.; You, L.; Liu, L.; “Molecular Modeling of the Inhibition Mechanism of 1-(2-Aminoethyl)-2-Alkyl-Imidazoline”; Corrosion Science 52(6), 2059-2065, 2010.
[14] Singh, A.; Ansari, K. R.; Lin, Y.; Quraishi, M. A.; Lgaz, H.; Chung, Ill-M; “Corrosion Inhibition Performance of Imidazolidine Derivatives for J55 Pipeline Steel in Acidic Oilfield Formation Water: Electrochemical, Surface and Theoretical Studies”; J. Taiwan Inst. Chem. Eng. 95, 341-356, 2019.
[15] Koopmans, T.; “Über Die Zuordnung Von Wellenfunktionen Und Eigenwerten Zu Den Einzelnen Elektronen Eines Atoms” Physica 1, 104-113, 1933.
[16] Kubba, R. M.; Al-Majidi, S. M. H.; Ahmed, A. H.; “Synthesis, Characterization and Quantum Chemical Studies of Inhibition Ability of Novel 5-Nitro Isatin Derivatives on the Corrosion of Carbon Steel in Sea Water”; Iraqi J. Sci. 60(4), 688-705, 2019.
[17] Louadi, Y. E.; Abrigach, F.; Bouyanzer, A.; Touzani, R.; El-Assyry, A.,; Zarrouk, A.; Hammoutia, B.; “Theoretical and Experimental Studies on the Corrosion Inhibition Potentials of Two Tetrakis Pyrazole Derivatives for Mild Steel in 1.0m Hcl”; Portug. Electrochim. Acta 35(3), 159-178, 2017.
[18] Parr, R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E.; Empirical Evaluation of Chemical Hardness”; J. Chem. Phys. 68, 3801-3807, 1978.
[19] Speicher, C.; Dreizler, R.; “Density Functional Approach to Quantum Hadrodynamics: Theoretical Foundations and Construction of Extended Thomas- Fermi Models”; Ann. Phys. 213, 312-354, 1998.
[20] Kubba, R. M.; Alag, A. Sh.; “Experimental and Theoretical Evaluation of New Quinazolinone Derivative as Organic Corrosion Inhibitor for Carbon Steel in 1m Hcl Solution”; IJSR 6(6), 1832-1843, 2017.
[21] Ahmed, A. H.; Kubba, R. M.; Al-Majidi, S. M. H.; “Synthesis, Identification, Theoretical and Experimental Studies of Carbon Steel Corrosion Inhibition in Sea Water by Some New Diazine Derivatives Linked to 5-Nitro Isatin Moiety”; Iraq. J. Sci. 59(3b), 1347-1365, 2018.
[22] Kaskah, S. E.; “Surface Protection of Steel Cr4 by Using N-Acyl Sarcosine Derivatives in Salt Water”; Ph.D. Thesis, 2018.
[23] Hong, S.; Chen, W.; Luo, H. Q.; Li, N. B.; “Inhibition Effect of 4-Amino-Antipyrine on the Corrosion of Copper in 3 Wt.% NaCl Solution”; Corrosion Science 57, 270–278, 2012.
[24] Acharya, S.; Upadhyay, S. N.; “The Inhibition of Corrosion of Mild Steel by Some Fluoroquinolones in Sodium Chloride Solution”; Trans. Indian Inst. Met. 57, 297-306, 2004.
[25] Hikmat, N. A.; Farhan, A. M; Majed, R. A.; “Thermodynamic And Kinetic Parameters for Corrosion Inhibition of Al-Cu Alloy by Sodium Acetate at PH11”; Know Res. 1, 62-67, 2014.
[26] Obot, I. B.; Obi-Egbedi, N. O.; “Indeno-1-One [2,3-B] Quinoxaline as an Effective Inhibitor for the Corrosion of Mild Steel in 0.5m H2SO4 Solution”; Mater. Chem. Phys. 122, 325-328, 2010.
[27] Ben Hmamou, D.; Aouad, M.; Salghi, R.; Zarrouk, A.; Assouag M.; Benali, O.; Messali, M.; Zarrok, H.; Hammouti, B.; “Inhibition of C38 Steel Corrosion in Hydrochloric Acid Solution by 4,5-Diphenyl-1h-Imidazole-2-Thiol:Gravimetric and Temperature Effects Treatments”; Int. J. Sci. Res. 4 (7), 3498-3504, 2012.
[28] Fergachi, O.; Benhiba, F.; Rbaa, M.; Ouakki, M.; Galai, M.; Touir, R.; Lakhrissi, B.; Oudda, H.; Ebn-Touhami, M.; “Corrosion Inhibition of Ordinary Steel in 5.0m HCl Medium by Benzimidazole Derivatives: Electrochemical, Uv–Visible Spectrometry and DFT Calculations”; J. Bio-Tribo-Corr., 5-21, 2019.
[29] Kubba, R. M.; Al-Majidi, S. M. H.; Ahmed, A. H.; “Synthesis, Characterization and Quantum Chemical Studies of Inhibition Ability of Novel 5-Nitro Isatin Derivatives on the Corrosion of Carbon Steel in Sea Water”; Iraqi J. Sci. 60(4), 688-705, 2019.
[2] David, A.; “Predicting the Performance of Organic Corrosion Inhibitors”; Metals 7(553), 1-8, 2017.
[3] Aouniti, A.; Elmsellema, H.; Tighadouini, S.; Elazzouzi, M.; Radi, S.; Chetouani, A.; Hammouti, B.; Zarrouk, A.; “Schiff’s Base Derived from 2-Acetyl Thiophene as Corrosion Inhibitor of Steel in Acidic Medium” J. Taibah Univ. Sci. 10, 774-785, 2016.
[4] Khaled, K. F.; “Studies of Iron Corrosion Inhibition Using Chemical, Electrochemical and Computer Simulation Techniques”; Electrochimica Acta 55, 6523–653, 2010.
[5] Gutiérreza, E.; Rodrígueza, J.; Borbollaa, J., Rodrígueza J.; Thangarasu, P.; “Development of a Predictive Model for Corrosion Inhibition of Carbon Steel by Imidazole and Benzimidazole Derivatives” Corrosion Science 108, 23-35, 2016.
[6] Shaban, S. M.; “N-(3-(Dimethyl Benzyl Ammonio) Propyl) Alkanamide Chloride Derivatives as Corrosion Inhibitors for Mild Steel in 1 M Hcl Solution: Experimental and Theoretical Investigation”; Res. Advances 6, 39784-39800, 2016.
[7] Zhang, J.; Qiao, G.; Hu, S.; Yan, Y.; Ren, Z.; Yu, L.; Theoretical Evaluation of Corrosion Inhibition Performance of Imidazoline Compounds with Different Hydrophilic Groups”; Corrosion Science 53, 147-152, 2011.
[8] Sallom, K. J.; “Synthesis and Biological Activity Evaluation of New Imidazo and Bis Imidazo (1,2-A) Pyridine Derivatives”; M.Sc. Thesis, University of Baghdad, College of Science, Baghdad, Iraq; 2019.
[9] Duboscq, J.; Sabot, R.; Jeannin, M.; Refait, P.; “Localized Corrosion of Carbon Steel in Seawater: Processes Occurring in Cathodic Zones”; Mat. Corr. 70(6), 941-1140, 2019.
[10] Frisch, M. J.; Pople, J. A.; “Gaussian 09, Revision E. 01. Gaussian, Inc., Wallingford Ct.; 2009.
[11] Becke, A.; “Density–Functional Thermo-Chemistry: iii. The Role of Exact Exchange”; J. Chem. Phys. 98, 5648-5652, 1993.
[12] Fleming, I.; “Frontier Orbitals and Organic Chemical Reactions”; John Wiley and Sons, Newyork; 1976.
[13] Zhang, J.; Liu, J.; Yu, W.; Yan, Y.; You, L.; Liu, L.; “Molecular Modeling of the Inhibition Mechanism of 1-(2-Aminoethyl)-2-Alkyl-Imidazoline”; Corrosion Science 52(6), 2059-2065, 2010.
[14] Singh, A.; Ansari, K. R.; Lin, Y.; Quraishi, M. A.; Lgaz, H.; Chung, Ill-M; “Corrosion Inhibition Performance of Imidazolidine Derivatives for J55 Pipeline Steel in Acidic Oilfield Formation Water: Electrochemical, Surface and Theoretical Studies”; J. Taiwan Inst. Chem. Eng. 95, 341-356, 2019.
[15] Koopmans, T.; “Über Die Zuordnung Von Wellenfunktionen Und Eigenwerten Zu Den Einzelnen Elektronen Eines Atoms” Physica 1, 104-113, 1933.
[16] Kubba, R. M.; Al-Majidi, S. M. H.; Ahmed, A. H.; “Synthesis, Characterization and Quantum Chemical Studies of Inhibition Ability of Novel 5-Nitro Isatin Derivatives on the Corrosion of Carbon Steel in Sea Water”; Iraqi J. Sci. 60(4), 688-705, 2019.
[17] Louadi, Y. E.; Abrigach, F.; Bouyanzer, A.; Touzani, R.; El-Assyry, A.,; Zarrouk, A.; Hammoutia, B.; “Theoretical and Experimental Studies on the Corrosion Inhibition Potentials of Two Tetrakis Pyrazole Derivatives for Mild Steel in 1.0m Hcl”; Portug. Electrochim. Acta 35(3), 159-178, 2017.
[18] Parr, R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E.; Empirical Evaluation of Chemical Hardness”; J. Chem. Phys. 68, 3801-3807, 1978.
[19] Speicher, C.; Dreizler, R.; “Density Functional Approach to Quantum Hadrodynamics: Theoretical Foundations and Construction of Extended Thomas- Fermi Models”; Ann. Phys. 213, 312-354, 1998.
[20] Kubba, R. M.; Alag, A. Sh.; “Experimental and Theoretical Evaluation of New Quinazolinone Derivative as Organic Corrosion Inhibitor for Carbon Steel in 1m Hcl Solution”; IJSR 6(6), 1832-1843, 2017.
[21] Ahmed, A. H.; Kubba, R. M.; Al-Majidi, S. M. H.; “Synthesis, Identification, Theoretical and Experimental Studies of Carbon Steel Corrosion Inhibition in Sea Water by Some New Diazine Derivatives Linked to 5-Nitro Isatin Moiety”; Iraq. J. Sci. 59(3b), 1347-1365, 2018.
[22] Kaskah, S. E.; “Surface Protection of Steel Cr4 by Using N-Acyl Sarcosine Derivatives in Salt Water”; Ph.D. Thesis, 2018.
[23] Hong, S.; Chen, W.; Luo, H. Q.; Li, N. B.; “Inhibition Effect of 4-Amino-Antipyrine on the Corrosion of Copper in 3 Wt.% NaCl Solution”; Corrosion Science 57, 270–278, 2012.
[24] Acharya, S.; Upadhyay, S. N.; “The Inhibition of Corrosion of Mild Steel by Some Fluoroquinolones in Sodium Chloride Solution”; Trans. Indian Inst. Met. 57, 297-306, 2004.
[25] Hikmat, N. A.; Farhan, A. M; Majed, R. A.; “Thermodynamic And Kinetic Parameters for Corrosion Inhibition of Al-Cu Alloy by Sodium Acetate at PH11”; Know Res. 1, 62-67, 2014.
[26] Obot, I. B.; Obi-Egbedi, N. O.; “Indeno-1-One [2,3-B] Quinoxaline as an Effective Inhibitor for the Corrosion of Mild Steel in 0.5m H2SO4 Solution”; Mater. Chem. Phys. 122, 325-328, 2010.
[27] Ben Hmamou, D.; Aouad, M.; Salghi, R.; Zarrouk, A.; Assouag M.; Benali, O.; Messali, M.; Zarrok, H.; Hammouti, B.; “Inhibition of C38 Steel Corrosion in Hydrochloric Acid Solution by 4,5-Diphenyl-1h-Imidazole-2-Thiol:Gravimetric and Temperature Effects Treatments”; Int. J. Sci. Res. 4 (7), 3498-3504, 2012.
[28] Fergachi, O.; Benhiba, F.; Rbaa, M.; Ouakki, M.; Galai, M.; Touir, R.; Lakhrissi, B.; Oudda, H.; Ebn-Touhami, M.; “Corrosion Inhibition of Ordinary Steel in 5.0m HCl Medium by Benzimidazole Derivatives: Electrochemical, Uv–Visible Spectrometry and DFT Calculations”; J. Bio-Tribo-Corr., 5-21, 2019.
[29] Kubba, R. M.; Al-Majidi, S. M. H.; Ahmed, A. H.; “Synthesis, Characterization and Quantum Chemical Studies of Inhibition Ability of Novel 5-Nitro Isatin Derivatives on the Corrosion of Carbon Steel in Sea Water”; Iraqi J. Sci. 60(4), 688-705, 2019.
Downloads
Published
2020-03-04
Issue
Section
Articles
How to Cite
[1]
“Theoretical and Experimental Study of a New Imidazo (1,2-a) Pyridine Derivative as a Corrosion Inhibitor for the Carbon Steel Surface in the Saline Media”, ANJS, vol. 23, no. 1, pp. 13–26, Mar. 2020, Accessed: Apr. 25, 2024. [Online]. Available: https://anjs.edu.iq/index.php/anjs/article/view/2236
.jpg)
