Thermal Conductivity of Metastable Ionic Liquid [C2mim][CH3SO3]

Lozano-Martín, Daniel; Vieira, Simone Bastos; Paredes, Xavier; Lourenço, Maria José; Castro, C. A. Nieto de; Sengers, J. V.; Massonne, Klemens

doi:10.3390/molecules25184290

Cited by 19 publications

(25 citation statements)

References 24 publications

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“…Concomitantly, the lines at 605 and 626 cm −1 also present an abrupt shift of their peak frequency. These changes are likely due to the melting of the sample around 270 K, in agreement with previous DSC measurements [ 43 ].…”

Section: Resultssupporting

confidence: 91%

Evidence of the CH···O HydrogenBonding in Imidazolium-Based Ionic Liquids from Far-Infrared Spectroscopy Measurements and DFT Calculations

Palumbo¹,

Cimini²,

Trequattrini

et al. 2021

IJMS

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Knowledge of all the intermolecular forces occurring in ionic liquids (ILs) is essential to master their properties. Aiming at investigating the weaker hydrogen bonding in aprotic liquids, the present work combined computational study and far-infrared spectroscopy on four imidazolium-based ILs with different anions. The DFT calculations of the ionic couples, using the wB97X-D functional and considering both the empirical dispersion corrections and the presence of a polar solvent, show that, for all samples, the lowest energy configurations of the ion pair present H atoms, directly bound to C atoms of the cation and close to O atoms of the anion, capable of creating moderate to weak hydrogen bonding with anions. For the liquids containing anions of higher bonding ability, the absorption curves generated from the calculated vibrational frequencies and intensities show absorption bands between 100 and 125 cm−1 corresponding to the stretching of the hydrogen bond. These indications are in complete agreement with the presently reported temperature dependence of the far-infrared spectrum, where the stretching modes of the hydrogen bonding are detected only for samples presenting a moderate interaction and become particularly prominent at low temperatures. Moreover, from the analysis of the infrared spectra, the occurrence of various phase transitions as a function of temperature was detected, and the difference in the average energy between the H-bonded and the dispersion-governed molecular configurations was evaluated.

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Section: Resultssupporting

confidence: 91%

Evidence of the CH···O HydrogenBonding in Imidazolium-Based Ionic Liquids from Far-Infrared Spectroscopy Measurements and DFT Calculations

Palumbo¹,

Cimini²,

Trequattrini

et al. 2021

IJMS

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“…The [C 4 C 1 im][Cl], [C 3 C 1 im][Cl], and [C 2 C 1 im][Cl] are solid at room temperature and as such were not modeled using the Peng–Robinson EOS. However, it is important to note that for the solubility measurements with [C 4 C 1 im][Cl] and [C 3 C 1 im][Cl], both was heated above their melting point during the sample preparation and were in a metastable state for the solubility measurements. − …”

Section: Results and Discussionmentioning

confidence: 99%

Phase Equilibria and Diffusivities of HFC-32 and HFC-125 in Ionic Liquids for the Separation of R-410A

Baca

Olsen

Valenciano

et al. 2021

ACS Sustainable Chem. Eng.

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Current legislation calling for the phase out of hydrofluorocarbon (HFC) refrigerants is driving a global market shift that has prompted industry and research institutions to investigate new refrigerant mixtures and sustainable separation techniques for recycling refrigerants. The recent American Innovation and Manufacturing (AIM) Act of 2020 requires an 85% phase down of HFC production over the next 15 years. To achieve this goal, azeotropic refrigerant mixtures, such as R-410A composed of 50 wt % HFC-32 (difluoromethane, CH 2 F 2 ) and 50 wt % HFC-125 (pentafluoroethane, CHF 2 CF 3 ), will have to be separated to recycle the lower global warming HFC-32 component. The present work investigates the solubility of HFC-32 and HFC-125 in six ionic liquids (ILs) with halogen anions for the purpose of developing the thermophysical property data required for designing extractive distillation recycling processes and understanding the choice of cation and anion type. A gravimetric microbalance was used to collect isothermal vapor liquid equilibrium data for each of the ILs at 298.15 K and pressures from 0.05 to 1.0 MPa. The Peng−Robinson equation of state was used to model the solubility of the HFCs in the ILs. The solubility of HFC-32 in the ILs showed small differences, while the solubility of HFC-125 had significant variations with respect to the anion type and the cation alkyl chain length. Fick's law was applied to calculate diffusion coefficients for each HFC/IL system. HFC-32 has a greater diffusivity than HFC-125 based on smaller molecular size. The 1-n-hexyl-3-methylimidazolium chloride and the trihexyl(tetradecyl)phosphonium chloride ILs have the highest HFC-125/HFC-32 selectivity at 298.15 K. Based on both the mass uptake and selectivity ratio, these two ILs are potential entrainers for the separation of R-410A using extractive distillation.

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“…In addition, for comparison purposes, E values of ILs that have been reported to have potential as HTFs were collected. The results show that the E values of the ILs studied in this work are higher than those of 79 and commercial HTFs: Therminol VP-1, 3 Therminol 66, 3 Marlotherm SH, 3 Therminol VP-3, 4 Syltherm HF, 28 Syltherm XLT, 28 Paratherm HR, 28 Globaltherm Syntec, 28 Dowtherm O, 28 Dowtherm MX, 28 Dowtherm G, 28 Dowtherm J, 28 Dowtherm T, 28 Dowtherm RP, 28 Paratherm MR, 28 Syltherm 800, 28 Dowtherm A, 28 and Globaltherm Omniterm; 28 288.15−323.15 K are 2.8, 3.6, and 0.7% respectively, which is lower than that of commercial HTFs (Therminol VP-1, 3 Therminol VP-3, 4 Therminol 66, 3 and Marlotherm SH 3 equals 3.8, 8.1, 4.5, and 4.9%, respectively) (Figure 4B). The E values of the ILs under investigation may suggest that these fluids have better heat-storage characteristics than commercial HTFs.…”

mentioning

confidence: 65%

Feasibility of 1-Ethyl-4-butyl-1,2,4-triazolium Acetyl Amino Acid Ionic Liquids as Sustainable Heat-Transfer Fluids

Liang

Ren

et al. 2022

ACS Sustainable Chem. Eng.

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As an improvement on imidazolium amino acid ionic liquids, three ionic liquids, 1-ethyl-4-butyl-1,2,4-triazolium acetylglycine [Taz(2,4)][Acgly], 1-ethyl-4-butyl-1,2,4-triazolium acetylalanine [Taz(2,4)][Acala], and 1-ethyl-4-butyl-1,2,4-triazolium acetylcysteine [Taz(2,4)][Accys], were first synthesized for future application as heat-transfer media. The density, surface tension, isobaric heat capacity, and thermal conductivity were measured in different experimental temperature ranges. Based on the above experimental data, the isobaric thermal expansibility and isentropic and isothermal compressibility, as well as the isochoric heat capacity and heat-storage density, were also calculated. Compared with several popular commercial heat-transfer fluids, it was found that the ionic liquids studied in this work have better performance in terms of heat-storage density of ∼2.38 MJ·cm–3·K–1 and thermal conductivity of ∼0.197 W·m–1·K–1. In addition, the viscosity was also determined, and the results showed an unexpected reduction by the introduction of a small amount of water for ionic liquids and almost no influence on other thermophysical properties. Finally, we selected a specific heat-transfer process and calculated the heat-transfer coefficient and the heat-transfer area based on the thermophysical properties. Meanwhile, the lower liquid temperature limit (∼229 K) and the nontoxic, environmentally friendly anion could provide a wider and safer environment for the application of ionic liquids. Given this, the ionic liquids studied in this work, especially the [Taz(2,4)][Acgly], could be considered as promising heat-transfer fluid candidates by appropriate adjustment of the water content.

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Thermal Conductivity of Metastable Ionic Liquid [C2mim][CH3SO3]

Cited by 19 publications

References 24 publications

Evidence of the CH···O HydrogenBonding in Imidazolium-Based Ionic Liquids from Far-Infrared Spectroscopy Measurements and DFT Calculations

Evidence of the CH···O HydrogenBonding in Imidazolium-Based Ionic Liquids from Far-Infrared Spectroscopy Measurements and DFT Calculations

Phase Equilibria and Diffusivities of HFC-32 and HFC-125 in Ionic Liquids for the Separation of R-410A

Feasibility of 1-Ethyl-4-butyl-1,2,4-triazolium Acetyl Amino Acid Ionic Liquids as Sustainable Heat-Transfer Fluids

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