Thermal properties of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids with linear, branched and cyclic alkyl substituents

Rotrekl, Jan; Storch, Jan; Kloužek, Jaroslav; Vrbka, Pavel; Husson, Pascale; Andresová, Adéla; Bendová, Magdalena; Wagner, Z.

doi:10.1016/j.fluid.2017.03.021

Cited by 9 publications

(4 citation statements)

References 34 publications

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“…Moreover, Table 9 shows the bonding of the alkyl chain via tertiary carbon atom decreases the thermal stability of the IL, compared to those isomers, in which the alkyl is connected with the secondary carbon atom to the imidazolium ring [66,120]. The potential energy barrier of the decomposition reaction decreases because the decomposition products originating from tertiary carbon can be easily stabilized [66,72].…”

Section: Structure Of Cationsmentioning

confidence: 99%

Thermal Stability of Ionic Liquids: Current Status and Prospects for Future Development

Cheng

2021

Processes

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Ionic liquids (ILs) are the safest solvent in various high-temperature applications due to their non-flammable properties. In order to obtain their thermal stability properties, thermogravimetric analysis (TGA) is extensively used to analyze the kinetics of the thermal decomposition process. This review summarizes the different kinetics analysis methods and finds the isoconversional methods are superior to the Arrhenius methods in calculating the activation energy, and two tools—the compensation effect and master plots—are suggested for the calculation of the pre-exponential factor. With both parameters, the maximum operating temperature (MOT) can be calculated to predict the thermal stability in long-term runnings. The collection of thermal stability data of ILs with divergent cations and anions shows the structure of cations such as alkyl side chains, functional groups, and alkyl substituents will affect the thermal stability, but their influence is less than that of anions. To develop ILs with superior thermal stability, dicationic ILs (DILs) are recommended, and typically, [C4(MIM)2][NTf2]2 has a decomposition temperature as high as 468.1 °C. For the convenience of application, thermal stability on the decomposition temperature and thermal decomposition activation energy of 130 ILs are summarized at the end of this manuscript.

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Section: Structure Of Cationsmentioning

confidence: 99%

Thermal Stability of Ionic Liquids: Current Status and Prospects for Future Development

Cheng

2021

Processes

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“…The branched ILs, particularly [ t C 4 mim]X, have higher densities than the linear ILs, which is not the case for molecular liquids, , where branching normally decreases density due to bulkiness inhibiting efficient packing. The densities of ILs can either increase or decrease upon branching, ,,,, depending on the IL structure. This indicates that additional competing factors affect the densities of branched ILs.…”

Section: Discussionmentioning

confidence: 99%

Structure–Property Relationship for 1-Isopropyl-3-methylimidazolium- and 1-tert-Butyl-3-methylimidazolium-Based Ionic Liquids: Thermal Properties, Densities, Viscosities, and Quantum Chemical Calculations

et al. 2019

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We systematically analyzed the thermal phase behaviors (phase change and thermal decomposition temperatures), densities, and viscosities of 1-isopropyl-3-methylimidazolium ([iC3mim]+)- and 1-tert-butyl-3-methylimidazolium ([tC4mim]+)-based ionic liquids (ILs) with [I]−, [PF6]−, bis(fluorosulfonyl)imide, bis(trifluoromethylsulfonyl)imide, and bis(pentafluoroethylsulfonyl)imide counterions. The results were compared to those for ILs based on the corresponding linear alkyl imidazolium cations (1-methyl-3-propylimidazolium and 1-butyl-3-methylimidazolium). Our results revealed that the melting points of the branched ILs are always higher than those of the linear ILs. The densities of [tC4mim]X are higher than those of the linear ILs, which is somewhat counterintuitive when considering previously reported molecular liquid data. Using the van der Waals volume data estimated in this work, the fractional free volumes of the ILs were estimated. This revealed that the linear and branched ILs have largely similar void space values in the liquid state. The viscosities of [tC4mim]X are higher than those of the linear ILs, while those of [iC3mim]X are comparable. To better understand the structure–property relationship for the branched ILs, density functional theory calculations were performed for the ions in the gas phase. The structure–property relationship of the branched ILs is discussed in terms of bulkiness, conformational entropy, structural symmetry, and cation–anion interaction changes.

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“…A comprehensive heat capacity database was compiled from the NIST ILThermo database based on the data available from over 150 references. − …”

Section: Methodsmentioning

confidence: 99%

Prediction of Liquid Phase Heat Capacity of Ionic Liquids: Comparison of Existing Methods and Development of New Hybrid Group Contribution Models

Liaqat,

Shahin,

Nancarrow

et al. 2023

Ind. Eng. Chem. Res.

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Estimation of the liquid phase heat capacity of ionic liquids (ILs) is necessary in order to select and design the optimum ILs for specific industrial applications, particularly those involving thermal storage and heat transfer. Most attempts at estimating the heat capacity (at the constant pressure) of ILs have followed the group contribution model (GCM) approach, but these have involved the use of limited databases and cannot be applied to a wide range of ILs. In this study, an extensive database of over 11500 data points with 273 unique ILs, made up of 155 unique cations and 74 unique anions, was compiled and used to assess three commonly used GCMs. GCM-1 is less complicated than the other two in terms of its mapping parameters but is more restricted in terms of its applicability. GCM-2 and GCM-3 are more complex and have been further improved by incorporating additional functional groups and indirect parameters. The results have shown that GCM-2 and GCM-3 have performed better than GCM-1 in terms of their mean absolute percentage error (MAPE) (2.37% for GCM-1, 2.27% for GCM-2, and 2.17% for GCM-3) and enable heat capacity prediction for a wider range of ILs.

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Thermal properties of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids with linear, branched and cyclic alkyl substituents

Cited by 9 publications

References 34 publications

Thermal Stability of Ionic Liquids: Current Status and Prospects for Future Development

Thermal Stability of Ionic Liquids: Current Status and Prospects for Future Development

Structure–Property Relationship for 1-Isopropyl-3-methylimidazolium- and 1-tert-Butyl-3-methylimidazolium-Based Ionic Liquids: Thermal Properties, Densities, Viscosities, and Quantum Chemical Calculations

Prediction of Liquid Phase Heat Capacity of Ionic Liquids: Comparison of Existing Methods and Development of New Hybrid Group Contribution Models

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