Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach
Data from experiments and molecular computation were used to evaluate azithromycin as a safe and innocuous corrosion retardant for mild steel in acidic environments. Hydrogen evolution experiments were conducted between 303 and 333 K with and without azithromycin in hydrochloric acid solution. SEM p...
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-01-01
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| Series: | Results in Chemistry |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715623001480 |
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| author | Alexander I. Ikeuba Joseph E. Ntibi Peter C. Okafor Benedict I. Ita Augustine U. Agobi Fredrick C. Asogwa Ben J. Omang Ededet A. Eno Hitler Loius Stephen A. Adalikwu Bamibola A. Abiola Fidelis E. Abeng Nelson A. Abang |
| author_facet | Alexander I. Ikeuba Joseph E. Ntibi Peter C. Okafor Benedict I. Ita Augustine U. Agobi Fredrick C. Asogwa Ben J. Omang Ededet A. Eno Hitler Loius Stephen A. Adalikwu Bamibola A. Abiola Fidelis E. Abeng Nelson A. Abang |
| author_sort | Alexander I. Ikeuba |
| collection | DOAJ |
| description | Data from experiments and molecular computation were used to evaluate azithromycin as a safe and innocuous corrosion retardant for mild steel in acidic environments. Hydrogen evolution experiments were conducted between 303 and 333 K with and without azithromycin in hydrochloric acid solution. SEM photos and the results of hydrogen evolution demonstrate that azithromycin suppresses steel corrosion in an acidic environment. The inhibition efficiency (IE%) of azithromycin increases with the rise in concentration and the drop in temperature. The maximum IE% (81.36%) was obtained at 800 mg/L of azithromycin at 303 K. The corrosion reaction rates could be described with a first-order rate law. The range of thermodynamic parameters obtained from 303 K to 333 K for entropy (−181.2 to −91.9 J/mol), enthalpy (18.6 to 50.1 kJ/mol), and activation energy (21.2 to 52.7 kJ/mol) indicate the corrosion is spontaneous and endothermic. The results of the experiment agreed with the Langmuir model for adsorption, and physisorption is postulated for the adsorption of azithromycin on mild steel based on the ΔG values (−12.0 to −2.8 kJ/mol) which were below −20 kJ/mol. According to computational details, oxygen hetero atoms with relatively very large Mulliken charges are the most susceptible active locations for adsorption of Azithromycin on the metal surface. |
| first_indexed | 2024-03-13T04:14:04Z |
| format | Article |
| id | doaj.art-ec7d5e17d1c546f7bb497871b998aae9 |
| institution | Directory Open Access Journal |
| issn | 2211-7156 |
| language | English |
| last_indexed | 2024-03-13T04:14:04Z |
| publishDate | 2023-01-01 |
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| record_format | Article |
| series | Results in Chemistry |
| spelling | doaj.art-ec7d5e17d1c546f7bb497871b998aae92023-06-21T06:52:32ZengElsevierResults in Chemistry2211-71562023-01-015100909Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approachAlexander I. Ikeuba0Joseph E. Ntibi1Peter C. Okafor2Benedict I. Ita3Augustine U. Agobi4Fredrick C. Asogwa5Ben J. Omang6Ededet A. Eno7Hitler Loius8Stephen A. Adalikwu9Bamibola A. Abiola10Fidelis E. Abeng11Nelson A. Abang12Materials Chemistry Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Corrosion and Electrochemistry Unit, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Computational and Bio Simulation Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Corresponding author at: Materials Chemistry Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria.Department of Physics, University of Calabar, Calabar, NigeriaCorrosion and Electrochemistry Unit, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Department of Pure and Applied Chemistry, University of Calabar, Calabar, NigeriaDepartment of Pure and Applied Chemistry, University of Calabar, Calabar, NigeriaMaterials Chemistry Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Department of Physics, University of Calabar, Calabar, Nigeria; Computational and Bio Simulation Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, NigeriaDepartment of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Computational and Bio Simulation Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, NigeriaMaterials Chemistry Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Department of Pure and Applied Chemistry, University of Calabar, Calabar, NigeriaDepartment of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Computational and Bio Simulation Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, NigeriaDepartment of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Computational and Bio Simulation Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, NigeriaComputational and Bio Simulation Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Cross River State College of Education, Akamkpa, NigeriaDepartments of Chemistry, Ahmadu Bello University, Zaria, NigeriaDepartment of Chemistry, Cross River University of Technology, Calabar, NigeriaMaterials Chemistry Research Group, Department of Pure and Applied Chemistry, University of Calabar, Calabar, Nigeria; Department of Pure and Applied Chemistry, University of Calabar, Calabar, NigeriaData from experiments and molecular computation were used to evaluate azithromycin as a safe and innocuous corrosion retardant for mild steel in acidic environments. Hydrogen evolution experiments were conducted between 303 and 333 K with and without azithromycin in hydrochloric acid solution. SEM photos and the results of hydrogen evolution demonstrate that azithromycin suppresses steel corrosion in an acidic environment. The inhibition efficiency (IE%) of azithromycin increases with the rise in concentration and the drop in temperature. The maximum IE% (81.36%) was obtained at 800 mg/L of azithromycin at 303 K. The corrosion reaction rates could be described with a first-order rate law. The range of thermodynamic parameters obtained from 303 K to 333 K for entropy (−181.2 to −91.9 J/mol), enthalpy (18.6 to 50.1 kJ/mol), and activation energy (21.2 to 52.7 kJ/mol) indicate the corrosion is spontaneous and endothermic. The results of the experiment agreed with the Langmuir model for adsorption, and physisorption is postulated for the adsorption of azithromycin on mild steel based on the ΔG values (−12.0 to −2.8 kJ/mol) which were below −20 kJ/mol. According to computational details, oxygen hetero atoms with relatively very large Mulliken charges are the most susceptible active locations for adsorption of Azithromycin on the metal surface.http://www.sciencedirect.com/science/article/pii/S2211715623001480Mild steelAzithromycinHydrochloric acidCorrosionInhibition |
| spellingShingle | Alexander I. Ikeuba Joseph E. Ntibi Peter C. Okafor Benedict I. Ita Augustine U. Agobi Fredrick C. Asogwa Ben J. Omang Ededet A. Eno Hitler Loius Stephen A. Adalikwu Bamibola A. Abiola Fidelis E. Abeng Nelson A. Abang Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach Results in Chemistry Mild steel Azithromycin Hydrochloric acid Corrosion Inhibition |
| title | Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach |
| title_full | Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach |
| title_fullStr | Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach |
| title_full_unstemmed | Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach |
| title_short | Kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach |
| title_sort | kinetic and thermodynamic evaluation of azithromycin as a green corrosion inhibitor during acid cleaning process of mild steel using an experimental and theoretical approach |
| topic | Mild steel Azithromycin Hydrochloric acid Corrosion Inhibition |
| url | http://www.sciencedirect.com/science/article/pii/S2211715623001480 |
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