Calorimetric study of polymorphism in 1-butyl-3-methylimidazolium hexafluorophosphate

Paulechka, Eugene; Liavitskaya, Tatsiana; Blokhin, Andrey V.

doi:10.1016/j.jct.2016.07.012

Cited by 18 publications

(9 citation statements)

References 32 publications

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“…Molar heat capacities of crystal and liquid BMImPF 6 were measured by adiabatic calorimetry from 5 to 550 K . Measurements above room temperature have also been carried out by several authors, − and, with the exception of two studies, , deviation among different datasets is lower than 2%, in many cases within 1%. As far as the values at low temperature are concerned, the results reported by Triolo and co-workers agree satisfactorily with those of ref .…”

Section: Resultsmentioning

confidence: 99%

“…Additional measurements were carried out by nonisothermal thermogravimetry-differential thermal analysis (TG-DTA), using a protocol recently proposed by Heym, which is able to rapidly reveal the occurrence of thermal decomposition simultaneous to evaporation. Finally, by exploiting the thermal functions available in the literature for BMImPF 6 both in the gaseous and in the liquid − phase, an experimental value for the evaporation enthalpy of BMImPF 6 is proposed, based on the third-law analysis of partial pressure data derived by KEMS. A comparison with the prototypical IL 1-butyl-3-methylimidazolium bis(trifluoromethyl)sulfonylimide (BMImNTf 2 ), whose vaporization behavior was recently studied by our group with the same techniques used here, is presented.…”

Section: Introductionmentioning

confidence: 99%

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Toward the Elucidation of the Competing Role of Evaporation and Thermal Decomposition in Ionic Liquids: A Multitechnique Study of the Vaporization Behavior of 1-Butyl-3-methylimidazolium Hexafluorophosphate under Effusion Conditions

Volpe¹,

Brunetti²,

Gigli³

et al. 2017

J. Phys. Chem. B

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The evaporation/decomposition behavior of the imidazolium ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate (BMImPF) was investigated in the overall temperature range 425-551 K by means of the molecular-effusion-based techniques Knudsen effusion mass loss (KEML) and Knudsen effusion mass spectrometry (KEMS), using effusion orifices of different size (from 0.2 to 3 mm in diameter). Specific effusion fluxes measured by KEML were found to depend markedly on the orifice size, suggesting the occurrence of a kinetically delayed evaporation/decomposition process. KEMS experiments revealed that other species are present in the vapor phase besides the intact ion pair BMImPF(g) produced by the simple evaporation BMImPF(l) = BMImPF(g), with relative abundances depending on the orifice size-the larger the orifice, the larger the contribution of the BMImPF(g) species. By combining KEML and KEMS results, the conclusion is drawn that in the investigated temperature range, when small effusion orifices are used, a significant part of the mass loss/volatility of BMImPF is due to molecular products formed by decomposition/dissociation processes rather than to evaporated intact ion pairs. Additional experiments performed by nonisothermal thermogravimetry-differential thermal analysis (TG-DTA) further support the evidence of simultaneous evaporation/decomposition, although the conventional decomposition temperature derived from TG curves is much higher than the temperatures covered in effusion experiments. Partial pressures of the BMImPF(g) species were derived from KEMS spectra and analyzed by second- and third-law methods giving a value of ΔH = 145.3 ± 2.9 kJ·mol for the standard evaporation enthalpy of BMImPF. A comparison is done with the behavior of the 1-butyl-3-methylimidazolium bis(trifluoromethyl)sulfonylimide (BMImNTf) ionic liquid.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Toward the Elucidation of the Competing Role of Evaporation and Thermal Decomposition in Ionic Liquids: A Multitechnique Study of the Vaporization Behavior of 1-Butyl-3-methylimidazolium Hexafluorophosphate under Effusion Conditions

Volpe¹,

Brunetti²,

Gigli³

et al. 2017

J. Phys. Chem. B

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“…In this work, the notation previously used for ionic liquids is applied. 21 Two sequences of crystalline phases have been reported and are reproduced in this work. The sequences are designated as Sequence I and Sequence II in order of their thermodynamic stability on heating.…”

Section: Resultsmentioning

confidence: 95%

“…Different naming schemes for the various polymorphs of pure LiNTf 2 appear in the literature. In this work, the notation previously used for ionic liquids is applied . Two sequences of crystalline phases have been reported and are reproduced in this work.…”

Section: Resultsmentioning

confidence: 99%

Thermodynamic Properties of Lithium Bis((trifluoromethyl)sulfonyl)amide in the Crystal and Liquid Phases

et al. 2022

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The heat capacities of various phases and enthalpies of phase transitions of lithium bis((trifluoromethyl)sulfonyl)amide (LiNTf 2 ) were measured by adiabatic calorimetry in the temperature range of (5 to 370) K and differential scanning calorimetry in the temperature range of (233 to 551) K. New phase transitions were identified in the supercooled high-temperature sequence of polymorphs. Thermodynamic functions were calculated using these data. The effect of water on the thermodynamic properties of this salt is discussed, and gaps in the experimental data for (LiNTf 2 + H 2 O) were identified.

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“…The solubilities of CO 2 and H 2 S in the four ILs are used as the evaluation criteria, and the viscosity and heat capacity are compared. Table S3 shows the viscosity and heat capacity experimental data for the four ILs. − …”

Section: Molecular Dynamics Simulation and Il Screeningmentioning

confidence: 99%

Molecular Dynamics Evaluation of Removal of Acid Gases from SNG by Ionic Liquid

Zhang

Liu

Zhang

et al. 2019

ACS Sustainable Chem. Eng.

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A process for removing acid gas from synthetic natural gas based on ionic liquids (ILs) at room temperature is proposed. The structural properties, such as the radial and special distribution functions, and the dynamic properties, such as the self-diffusivity, are computed by molecular dynamics simulation methods. The microscopic characteristics are related to the macroscopic properties. The effects of different alkyl chain lengths and anionic ILs on the absorption process are studied. The ILs are proven to have good adsorption effects on acid gases, and the optimum IL, namely, [bmim][Tf2N], is determined. The structure–property relationships between the ILs and the dissolution diffusion are the basis for designing novel ILs. The design process is simulated by Aspen Plus. The results show that the process has good removal effects and that three key stream concentrations are increased compared with those based on a traditional solvent process. The capture rate of CO2 is 97.6%, the removal rate of H2S is 94.2%, and the CH4 concentration is 98.0%. The sensitivity analysis provides a decision-making basis for designers. Each index of product gas meets the requirements of GB 17820-2018, which enables these gases to be used in remote heating and power applications through the storage and transportation of the existing natural gas infrastructure.

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Calorimetric study of polymorphism in 1-butyl-3-methylimidazolium hexafluorophosphate

Cited by 18 publications

References 32 publications

Toward the Elucidation of the Competing Role of Evaporation and Thermal Decomposition in Ionic Liquids: A Multitechnique Study of the Vaporization Behavior of 1-Butyl-3-methylimidazolium Hexafluorophosphate under Effusion Conditions

Toward the Elucidation of the Competing Role of Evaporation and Thermal Decomposition in Ionic Liquids: A Multitechnique Study of the Vaporization Behavior of 1-Butyl-3-methylimidazolium Hexafluorophosphate under Effusion Conditions

Thermodynamic Properties of Lithium Bis((trifluoromethyl)sulfonyl)amide in the Crystal and Liquid Phases

Molecular Dynamics Evaluation of Removal of Acid Gases from SNG by Ionic Liquid

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