Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution
Corrosion inhibitive property of ionic liquid 1-Methyl-3-propylimidazolium iodide (MPII) on Mild Steel in 1 M H _2 SO _4 was investigated by experimental and computational Studies. The inhibition efficiency of inhibitor MPII at various concentrations, temperature and time duration were studied by gr...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2019-01-01
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| Series: | Materials Research Express |
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| Online Access: | https://doi.org/10.1088/2053-1591/ab5c6a |
| _version_ | 1797747172500832256 |
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| author | Gulista Parveen Sumayah Bashir Abhinay Thakur Sourav Kr Saha Priyabrata Banerjee Ashish Kumar |
| author_facet | Gulista Parveen Sumayah Bashir Abhinay Thakur Sourav Kr Saha Priyabrata Banerjee Ashish Kumar |
| author_sort | Gulista Parveen |
| collection | DOAJ |
| description | Corrosion inhibitive property of ionic liquid 1-Methyl-3-propylimidazolium iodide (MPII) on Mild Steel in 1 M H _2 SO _4 was investigated by experimental and computational Studies. The inhibition efficiency of inhibitor MPII at various concentrations, temperature and time duration were studied by gravimetric measurements, potentiodynamic polarization techniques, electrochemical impedance spectroscopy (EIS), surface studies and computational studies. The results from potentiodynamic polarization studies revealed that inhibitor 1-Methyl- 3-propylimidazolium iodide acts as a mixed type inhibitor with a high inhibition efficiency of 91% at 298 K. Adsorption of the inhibitor on the surface of mild steel follows the Langmuir adsorption isotherm. The mechanism of adsorption was also validated by quantum chemical studies. Morphology and topography of the Mild Steel surface with and without the inhibitor were investigated by SEM. Thermodynamic parameters for adsorption like adsorption equilibrium ( ${K}_{{\rm{ads}}}$ ), ${\rm{\Delta }}{H}_{{\rm{ads}}},$ ${\rm{\Delta }}{S}_{{\rm{ads}}},$ Free energy of adsorption i.e. Δ G _ads were also calculated so as to project the mechanism of adsorption. Computational data obtained from the Density functional theory (DFT) were used to acquire detailed theoretical insights. Appreciably Electrochemical impedance spectroscopy, Molecular dynamic simulation and quantum chemical calculation confirms the interaction of inhibitor with metal which leads to increases in inhibition efficiency. |
| first_indexed | 2024-03-12T15:48:16Z |
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| issn | 2053-1591 |
| language | English |
| last_indexed | 2024-03-12T15:48:16Z |
| publishDate | 2019-01-01 |
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| series | Materials Research Express |
| spelling | doaj.art-c7c31e2a7f144144b4b562d179ed39392023-08-09T15:21:42ZengIOP PublishingMaterials Research Express2053-15912019-01-017101651010.1088/2053-1591/ab5c6aExperimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solutionGulista Parveen0Sumayah Bashir1Abhinay Thakur2Sourav Kr Saha3Priyabrata Banerjee4Ashish Kumar5https://orcid.org/0000-0002-2003-6209Department of Chemistry, Faculty of Technology and Science, Lovely Professional University , Phagwara, Punjab, IndiaDepartment of Chemistry, Faculty of Technology and Science, Lovely Professional University , Phagwara, Punjab, IndiaDepartment of Chemistry, Faculty of Technology and Science, Lovely Professional University , Phagwara, Punjab, IndiaSurface Engineering & Tribology Group, CSIR-Central Mechanical Engineering Research Institute, Mahatma Gandhi Avenue, Durgapur, West Bengal, India; KAIST, Republic of KoreaSurface Engineering & Tribology Group, CSIR-Central Mechanical Engineering Research Institute, Mahatma Gandhi Avenue, Durgapur, West Bengal, IndiaDepartment of Chemistry, Faculty of Technology and Science, Lovely Professional University , Phagwara, Punjab, IndiaCorrosion inhibitive property of ionic liquid 1-Methyl-3-propylimidazolium iodide (MPII) on Mild Steel in 1 M H _2 SO _4 was investigated by experimental and computational Studies. The inhibition efficiency of inhibitor MPII at various concentrations, temperature and time duration were studied by gravimetric measurements, potentiodynamic polarization techniques, electrochemical impedance spectroscopy (EIS), surface studies and computational studies. The results from potentiodynamic polarization studies revealed that inhibitor 1-Methyl- 3-propylimidazolium iodide acts as a mixed type inhibitor with a high inhibition efficiency of 91% at 298 K. Adsorption of the inhibitor on the surface of mild steel follows the Langmuir adsorption isotherm. The mechanism of adsorption was also validated by quantum chemical studies. Morphology and topography of the Mild Steel surface with and without the inhibitor were investigated by SEM. Thermodynamic parameters for adsorption like adsorption equilibrium ( ${K}_{{\rm{ads}}}$ ), ${\rm{\Delta }}{H}_{{\rm{ads}}},$ ${\rm{\Delta }}{S}_{{\rm{ads}}},$ Free energy of adsorption i.e. Δ G _ads were also calculated so as to project the mechanism of adsorption. Computational data obtained from the Density functional theory (DFT) were used to acquire detailed theoretical insights. Appreciably Electrochemical impedance spectroscopy, Molecular dynamic simulation and quantum chemical calculation confirms the interaction of inhibitor with metal which leads to increases in inhibition efficiency.https://doi.org/10.1088/2053-1591/ab5c6amild steelcorrosionelectrochemical impedance studies (EIS)ionic liquidsadsorption |
| spellingShingle | Gulista Parveen Sumayah Bashir Abhinay Thakur Sourav Kr Saha Priyabrata Banerjee Ashish Kumar Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution Materials Research Express mild steel corrosion electrochemical impedance studies (EIS) ionic liquids adsorption |
| title | Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution |
| title_full | Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution |
| title_fullStr | Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution |
| title_full_unstemmed | Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution |
| title_short | Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution |
| title_sort | experimental and computational studies of imidazolium based ionic liquid 1 methyl 3 propylimidazolium iodide on mild steel corrosion in acidic solution |
| topic | mild steel corrosion electrochemical impedance studies (EIS) ionic liquids adsorption |
| url | https://doi.org/10.1088/2053-1591/ab5c6a |
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