Experimental and theoretical heat capacity of mono- and dicationic long alkyl chain imidazolium-based ionic liquids
Here we present the heat capacity (Cp) of a series of ten imidazolium based ionic liquids (ILs), mono- and dicationic, with chemical formula CnMIMBr (n = 2, 4, 6, 8, 10, 12, 14, and 16) and Cn(MIM)2Br2, (n = 4 and 8), respectively. The heat capacity values of eight ILs were determined using modulate...
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| Format: | Article |
| Language: | English |
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Elsevier
2022-12-01
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| Series: | Journal of Ionic Liquids |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772422022000325 |
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| author | Clarissa P. Frizzo Jean C.B. Vieira Dineli T.S. Ranathunga Steven O. Nielsen Marcos A. Villetti |
| author_facet | Clarissa P. Frizzo Jean C.B. Vieira Dineli T.S. Ranathunga Steven O. Nielsen Marcos A. Villetti |
| author_sort | Clarissa P. Frizzo |
| collection | DOAJ |
| description | Here we present the heat capacity (Cp) of a series of ten imidazolium based ionic liquids (ILs), mono- and dicationic, with chemical formula CnMIMBr (n = 2, 4, 6, 8, 10, 12, 14, and 16) and Cn(MIM)2Br2, (n = 4 and 8), respectively. The heat capacity values of eight ILs were determined using modulated differential scanning calorimetry (MDSC) in the temperature range of (358.15 to 378.15) K and compared with the results obtained from theoretical models found in the literature and molecular modeling calculations. For this set of ILs the Cp values were found to be in the range of (189.3 to 985.7) J mol−1 K−1. A linear increase in heat capacity with temperature was observed for all ILs. The Cp predicted by theoretical models and molecular modeling calculations showed reasonable agreement with the experimental Cp values for the majority of the studied ILs. The heat capacity increased with the addition of methylene groups in the side and spacer chains for both mono- and dicationic ILs. Consistent with the literature, it is observed that the additional methylene groups have a larger effect on the heat capacity at higher temperature. |
| first_indexed | 2024-04-11T06:25:04Z |
| format | Article |
| id | doaj.art-5645f2e99d714fa0be221914f7c0454b |
| institution | Directory Open Access Journal |
| issn | 2772-4220 |
| language | English |
| last_indexed | 2024-04-11T06:25:04Z |
| publishDate | 2022-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Ionic Liquids |
| spelling | doaj.art-5645f2e99d714fa0be221914f7c0454b2022-12-22T04:40:24ZengElsevierJournal of Ionic Liquids2772-42202022-12-0122100048Experimental and theoretical heat capacity of mono- and dicationic long alkyl chain imidazolium-based ionic liquidsClarissa P. Frizzo0Jean C.B. Vieira1Dineli T.S. Ranathunga2Steven O. Nielsen3Marcos A. Villetti4Department of Chemistry, Federal University of Santa Maria (UFSM), CEP 97105-900, Santa Maria, RS, Brazil; Corresponding author.Department of Chemistry, Federal University of Santa Maria (UFSM), CEP 97105-900, Santa Maria, RS, BrazilDepartment of Chemistry and Biochemistry, University of Texas at Dallas, 800 West Campbell Road, Richardson, TX 75080, United StatesDepartment of Chemistry and Biochemistry, University of Texas at Dallas, 800 West Campbell Road, Richardson, TX 75080, United StatesLepol, Department of Physics, Federal University of Santa Maria (Universidade Federal de Santa Maria — UFSM), Santa Maria, BrazilHere we present the heat capacity (Cp) of a series of ten imidazolium based ionic liquids (ILs), mono- and dicationic, with chemical formula CnMIMBr (n = 2, 4, 6, 8, 10, 12, 14, and 16) and Cn(MIM)2Br2, (n = 4 and 8), respectively. The heat capacity values of eight ILs were determined using modulated differential scanning calorimetry (MDSC) in the temperature range of (358.15 to 378.15) K and compared with the results obtained from theoretical models found in the literature and molecular modeling calculations. For this set of ILs the Cp values were found to be in the range of (189.3 to 985.7) J mol−1 K−1. A linear increase in heat capacity with temperature was observed for all ILs. The Cp predicted by theoretical models and molecular modeling calculations showed reasonable agreement with the experimental Cp values for the majority of the studied ILs. The heat capacity increased with the addition of methylene groups in the side and spacer chains for both mono- and dicationic ILs. Consistent with the literature, it is observed that the additional methylene groups have a larger effect on the heat capacity at higher temperature.http://www.sciencedirect.com/science/article/pii/S2772422022000325Ionic liquidImidazoliumHeat capacityDSCMolecular modeling |
| spellingShingle | Clarissa P. Frizzo Jean C.B. Vieira Dineli T.S. Ranathunga Steven O. Nielsen Marcos A. Villetti Experimental and theoretical heat capacity of mono- and dicationic long alkyl chain imidazolium-based ionic liquids Journal of Ionic Liquids Ionic liquid Imidazolium Heat capacity DSC Molecular modeling |
| title | Experimental and theoretical heat capacity of mono- and dicationic long alkyl chain imidazolium-based ionic liquids |
| title_full | Experimental and theoretical heat capacity of mono- and dicationic long alkyl chain imidazolium-based ionic liquids |
| title_fullStr | Experimental and theoretical heat capacity of mono- and dicationic long alkyl chain imidazolium-based ionic liquids |
| title_full_unstemmed | Experimental and theoretical heat capacity of mono- and dicationic long alkyl chain imidazolium-based ionic liquids |
| title_short | Experimental and theoretical heat capacity of mono- and dicationic long alkyl chain imidazolium-based ionic liquids |
| title_sort | experimental and theoretical heat capacity of mono and dicationic long alkyl chain imidazolium based ionic liquids |
| topic | Ionic liquid Imidazolium Heat capacity DSC Molecular modeling |
| url | http://www.sciencedirect.com/science/article/pii/S2772422022000325 |
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