Densities and Derived Volumetric Properties of Ionic Liquids with [Nf<sub>2</sub>] and [NTf<sub>2</sub>] Anions at High Pressures

Sas, Olalla G.; Ivaniš, Gorica R.; Kijevčanin, Mirjana Lj.; González, Begoña; Domínguez, Ángeles; Radović, Ivona R.

doi:10.1021/acs.jced.7b00771

Cited by 27 publications

(20 citation statements)

References 61 publications

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“…Thus, in this study, the measured ionic conductivities are compared as a first step. Figure 4 shows density plots versus temperature for the 15,16,23,24 The density of all the compositions decreases linearly with temperature. Larger ρ values are obtained for compositions of higher K[FSA] content.…”

Section: Resultsmentioning

confidence: 99%

Highly Conductive Ionic Liquid Electrolytes for Potassium-Ion Batteries

Yamamoto

Matsubara

2021

J. Chem. Eng. Data

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Section: Resultsmentioning

confidence: 99%

Highly Conductive Ionic Liquid Electrolytes for Potassium-Ion Batteries

Yamamoto

Matsubara

2021

J. Chem. Eng. Data

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“…where reliable data on absolute vapor pressures and vaporization enthalpies were available. [26][27][28][29][30][31] No obvious dependence of K'-values on the type or symmetry of the cation, as well as on the chain length of the alkyl substituent was detected. Thus, an average value…”

Section: Vapor Pressure Measurementsmentioning

confidence: 95%

“…where K ' encompasses now all constants presented in the Knudsen and in the Sauerbrey equations, as well as the configuration of the experimental setup. The K '‐value is specific for the experimental setup used in this study and it was determined from the QCM experiments with a series of ionic liquids [C n mim][NTf 2 ], [C n Py][NTf 2 ], and [C n C n im][NTf 2 ] where reliable data on absolute vapor pressures and vaporization enthalpies were available [26–31] . No obvious dependence of K '‐values on the type or symmetry of the cation, as well as on the chain length of the alkyl substituent was detected.…”

Section: Methodsmentioning

confidence: 99%

“…[33] For this work, the experimental vapor pressures have been derived from these data and reported for the first time. Available in the literature data for [C 2 mim][NTf 2 ] [27,28] were used for the calibration of the sensor. Detailed experimental information required to determine the extremely low vapor pressure, including the temperature dependence of the frequency shift rate and the enthalpies of vaporization, is given in the ESI (Table S1).…”

Section: Extremely Low Vapor Pressures Of Ilsmentioning

confidence: 99%

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Extremely Low Vapor‐Pressure Data as Access to PC‐SAFT Parameter Estimation for Ionic Liquids and Modeling of Precursor Solubility in Ionic Liquids

et al. 2021

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Precursor solubility is a crucial factor in industrial applications, dominating the outcome of reactions and purification steps. The outcome and success of thermodynamic modelling of this industrially important property with equations of states, such as Perturbed‐Chain Statistical Associating Fluid Theory (PC‐SAFT), vastly depends on the quality of the pure‐component parameters. The pure‐component parameters for low‐volatile compounds such as ionic liquids (ILs) have been commonly estimated using mixture properties, e. g. the osmotic pressure of aqueous solutions. This leads to parameters that depend on the solvent, and transferability to other mixtures often causes poor modeling results. Mixture‐independent experimental properties would be a more suitable basis for the parameter estimation offering a way to universal parameter sets. Model parameters for ILs are available in the literature [10.1016/j.fluid.2012.05.029], but they were estimated using pure‐IL density data. The present work focuses on a step towards a more universal estimation strategy that includes new experimental vapor‐pressure data of the pure IL. ILs exhibit an almost negligible vapor pressure in magnitude of usually 10−5 Pa even at elevated temperatures. In this work, such vapor‐pressure data of a series of 1‐ethyl‐3‐methyl‐imidazolium‐based [C2mim]‐ILs with various IL‐anions (e. g. tetrafluoroborate [BF4]−, hexafluorophosphate [PF6]−, bis(trifluoromethylsulfonyl)imide [NTf2]−) were experimentally determined and subsequently used for PC‐SAFT parameter estimation. The so‐determined parameters were used to predict experimental molecular precursor solubility in ILs and infinitely diluted activity coefficients of various solvents in ILs. The parameters were further compared to modeling results using classical parametrization methods (use of liquid‐density data only for the molecular PC‐SAFT and the ion‐based electrolyte PC‐SAFT). As a result, the modeled precursor solubilities using the new approach are much more precise than using the classical parametrization methods, and required binary parameters were found to be much smaller (if needed). In sum, including the pure‐component vapor‐pressure data of ILs opens the door towards parameter estimation that is not biased by mixture data. This procedure might be suitable also for polymers and for all kind of ionic species but needs extension to ion‐specific parametrization in the long term.

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“…On the other hand, the behaviour of the isobaric thermal expansivity, α p , is not really typical for this property, but it is quite common for ionic liquids. 45,46 It goes down along isotherms when the pressure increases and rises with the temperature drop at constant pressure. %.…”

Section: Derived Volumetric Propertiesmentioning

confidence: 98%

High - temperature and high-pressure (p, ρ, T) measurements and derived thermodynamic properties of 1-octyl-3-methylimidazolium hexafluorophosphate

Safarov

Bussemer

Aliyev

et al. 2020

JSCS

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Densities of ionic liquid (IL) 1-octyl-3-methylimidazolium hexafluorophosphate [OMIM][PF 6 ] at high temperatures and high pressures were measured. The measurements were made along 10 isotherms over a temperature range T = 278.15 to 413.15 K, at pressures up to 140 MPa by means of an Anton Paar DMA HPM vibration tube densimeter (VTD). The combined expanded relative uncertainties of the density, pressure and temperature measurements at the 95 % confidence level with a coverage factor of k = 2 are estimated to be 0.03 to 0.08 % (depending on temperature and pressure ranges), 0.1 %, and 0.015 K, respectively. We have critically assessed all of the reported high-pressure densities for [OMIM][PF 6 ], together with the presented results, in order to carefully select primary data for development of a reference wide-ranging equation of state. Values of ρ-T isobars curvatures, (∂ 2 ρ/∂T 2) п , were estimated using the present high-pressure ρ-T measurements and they were pretty low (0.78×10-7 to 1.50•×10-7 m 3 kg-1 K-1), indicating that the heat capacity of [OMIM][PF 6 ] very weakly depends on pressure, since (∂C P /∂P) T ≈ ≈ (∂ 2 ρ/∂T 2) п. Density data were fitted to the modified Tammann-Tait equation and the multiparametric polynomial-type equation of state (EOS) for the IL was developed using the measured high-pressure and high-temperature (p, ρ, T) data. This EOS, together with our previous measured heat capacity data at atmospheric pressure, was used to calculate high-pressure and high-temperature derived thermodynamic properties, such as isothermal compressibility,

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Densities and Derived Volumetric Properties of Ionic Liquids with [Nf₂] and [NTf₂] Anions at High Pressures

Cited by 27 publications

References 61 publications

Highly Conductive Ionic Liquid Electrolytes for Potassium-Ion Batteries

Highly Conductive Ionic Liquid Electrolytes for Potassium-Ion Batteries

Extremely Low Vapor‐Pressure Data as Access to PC‐SAFT Parameter Estimation for Ionic Liquids and Modeling of Precursor Solubility in Ionic Liquids

High - temperature and high-pressure (p, ρ, T) measurements and derived thermodynamic properties of 1-octyl-3-methylimidazolium hexafluorophosphate

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Densities and Derived Volumetric Properties of Ionic Liquids with [Nf2] and [NTf2] Anions at High Pressures

Cited by 27 publications

References 61 publications

Highly Conductive Ionic Liquid Electrolytes for Potassium-Ion Batteries

Highly Conductive Ionic Liquid Electrolytes for Potassium-Ion Batteries

Extremely Low Vapor‐Pressure Data as Access to PC‐SAFT Parameter Estimation for Ionic Liquids and Modeling of Precursor Solubility in Ionic Liquids

High - temperature and high-pressure (p, ρ, T) measurements and derived thermodynamic properties of 1-octyl-3-methylimidazolium hexafluorophosphate

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Densities and Derived Volumetric Properties of Ionic Liquids with [Nf₂] and [NTf₂] Anions at High Pressures