Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches
Abstract Two newly synthetic nontoxic dipyridine-based ionic liquids (PILs) with the same chain lengths and different polar groups were investigated: bispyridine-1-ium tetrafluoroborate (BPHP, TFPHP) with terminal polar groups Br and CF 3 , respectively, on Carbon steel (CS) in 8M H3PO4 as corrosion...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2023-11-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-45822-9 |
| _version_ | 1797630242728181760 |
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| author | Amira Hossam Eldin Moustafa Hanaa H. Abdel-Rahman Mohamed Hagar Mohamed R. Aouad Nadjet Rezki Sherif A. A. Bishr |
| author_facet | Amira Hossam Eldin Moustafa Hanaa H. Abdel-Rahman Mohamed Hagar Mohamed R. Aouad Nadjet Rezki Sherif A. A. Bishr |
| author_sort | Amira Hossam Eldin Moustafa |
| collection | DOAJ |
| description | Abstract Two newly synthetic nontoxic dipyridine-based ionic liquids (PILs) with the same chain lengths and different polar groups were investigated: bispyridine-1-ium tetrafluoroborate (BPHP, TFPHP) with terminal polar groups Br and CF 3 , respectively, on Carbon steel (CS) in 8M H3PO4 as corrosion inhibitors. Their chemical structure was verified by performing 1HNMR and 13CNMR. Their corrosion inhibition was investigated by electrochemical tests, especially as mass transfer with several characterizations: Scanning electron microscope/Energy dispersive X-ray spectroscopy (SEM–EDX), UV–visible, Atomic force microscope, Atomic absorbance spectroscopy, X-ray Photoelectron Spectroscopy and Gloss value. Theoretical calculation using density functional theory by calculating several parameters, molecular electrostatic potential, Fukui Indices, and Local Dual Descriptors were performed to demonstrate the reactivity behavior and the reactive sites of two molecules with a concentration range (1.25–37.5 × 10–5 M) and temperature (293–318 K). The maximum inhibition efficiency (76.19%) and uniform coverage were sufficient for BPHP at an optimum concentration of 37.5 × 10–5 M with the lowest temperature of 293 K. TFPHP recorded 71.43% at the same conditions. Two PILs were adsorbed following the El-Awady adsorption isotherm, including physicochemical adsorption. The computational findings agree with Electrochemical measurements and thus confirm CS's corrosion protection in an aggressive environment. |
| first_indexed | 2024-03-11T11:05:26Z |
| format | Article |
| id | doaj.art-758ae6464a974fbeb8d3c62243d25c6e |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-03-11T11:05:26Z |
| publishDate | 2023-11-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-758ae6464a974fbeb8d3c62243d25c6e2023-11-12T12:14:27ZengNature PortfolioScientific Reports2045-23222023-11-0113112810.1038/s41598-023-45822-9Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approachesAmira Hossam Eldin Moustafa0Hanaa H. Abdel-Rahman1Mohamed Hagar2Mohamed R. Aouad3Nadjet Rezki4Sherif A. A. Bishr5Chemistry Department, Faculty of Science, Alexandria UniversityChemistry Department, Faculty of Science, Alexandria UniversityChemistry Department, Faculty of Science, Alexandria UniversityChemistry Department, College of Science, Taibah UniversityChemistry Department, College of Science, Taibah UniversityChemistry Department, Faculty of Science, Alexandria UniversityAbstract Two newly synthetic nontoxic dipyridine-based ionic liquids (PILs) with the same chain lengths and different polar groups were investigated: bispyridine-1-ium tetrafluoroborate (BPHP, TFPHP) with terminal polar groups Br and CF 3 , respectively, on Carbon steel (CS) in 8M H3PO4 as corrosion inhibitors. Their chemical structure was verified by performing 1HNMR and 13CNMR. Their corrosion inhibition was investigated by electrochemical tests, especially as mass transfer with several characterizations: Scanning electron microscope/Energy dispersive X-ray spectroscopy (SEM–EDX), UV–visible, Atomic force microscope, Atomic absorbance spectroscopy, X-ray Photoelectron Spectroscopy and Gloss value. Theoretical calculation using density functional theory by calculating several parameters, molecular electrostatic potential, Fukui Indices, and Local Dual Descriptors were performed to demonstrate the reactivity behavior and the reactive sites of two molecules with a concentration range (1.25–37.5 × 10–5 M) and temperature (293–318 K). The maximum inhibition efficiency (76.19%) and uniform coverage were sufficient for BPHP at an optimum concentration of 37.5 × 10–5 M with the lowest temperature of 293 K. TFPHP recorded 71.43% at the same conditions. Two PILs were adsorbed following the El-Awady adsorption isotherm, including physicochemical adsorption. The computational findings agree with Electrochemical measurements and thus confirm CS's corrosion protection in an aggressive environment.https://doi.org/10.1038/s41598-023-45822-9 |
| spellingShingle | Amira Hossam Eldin Moustafa Hanaa H. Abdel-Rahman Mohamed Hagar Mohamed R. Aouad Nadjet Rezki Sherif A. A. Bishr Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches Scientific Reports |
| title | Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches |
| title_full | Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches |
| title_fullStr | Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches |
| title_full_unstemmed | Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches |
| title_short | Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches |
| title_sort | anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches |
| url | https://doi.org/10.1038/s41598-023-45822-9 |
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