Predicting the ionicity of ionic liquids in binary mixtures based on solubility data

Lopes, Catarina; Velho, Pedro; Macedo, Eugénia A.

doi:10.1016/j.fluid.2022.113717

Cited by 11 publications

(5 citation statements)

References 33 publications

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“…Generally, [Ch][Ala] + water presented the largest conductivities, while [Ch][Ala] + propan-1-ol presented the lowest, agreeing with the solvent dielectric constants at 298.15 K (78.37 for water, 23.8 for ethanol, and 20.4 for propan-1-ol). As it is well-known, dielectric constants are closely related to the polarity of the chemical species, for which compounds with larger dielectric constants possess larger polarities, which were found to ease the dissociation of ionic liquids. , Therefore, large solvent polarities favor the dissociation of ionic liquids into their counterions (in this case, cholinium cation and l -alaninate anion), increasing the bulk electrical conductivity and explaining the differences shown by Figure . Moreover, all systems presented a maximum in electrical conductivity at low concentrations of ionic liquid, which has been previously described in the literature for other systems containing ionic liquids. , In this concentration zone, characterized by the presence of the referred maxima, the viscosity of the mixtures is relatively low, so the mobility of charge carriers is high, increasing electrical conductivity .…”

Section: Resultsmentioning

confidence: 87%

“…As it is well-known, dielectric constants are closely related to the polarity of the chemical species, for which compounds with larger dielectric constants possess larger polarities, which were found to ease the dissociation of ionic liquids. 63,64 Therefore, large solvent polarities favor the dissociation of ionic liquids into their counterions (in this case, cholinium cation and L-alaninate anion), increasing the bulk electrical conductivity and explaining the differences shown by Figure 9. Moreover, all systems presented a maximum in electrical conductivity at low concentrations of ionic liquid, which has been previously described in the literature for other systems containing ionic liquids.…”

Section: Resultsmentioning

confidence: 98%

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Thermophysical Properties of Mixtures Containing Cholinium l-Alaninate and Water, Ethanol, or Propan-1-ol

Velho,

Estevinho,

Macedo

2023

J. Chem. Eng. Data

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Choline amino acid ionic liquids (CAAILs) provide a greener alternative to classical ionic liquids, such as the ones based on imidazolium cations, since they can be obtained from natural sources with larger biodegradability. Given that most industrial extractions are performed in either aqueous or alcoholic media, the thermophysical characterization of binary mixtures containing these solvents is very important for process design. In this work, the influences of the mole fraction of ionic liquid and of temperature on the thermophysical properties of binary mixtures containing water, ethanol, or propan-1-ol and cholinium L-alaninate ([Ch][Ala]), a well-known CAAIL, were studied. Dynamic viscosity, shear stress, torque (T = 288.15 − 308.15 K), electrical conductivity (T = 298.15 K), and density (T = 293.15, 298.15, 303.15 K) were measured at 0.1 MPa, and the corresponding excess volumes were calculated and fitted to a Redlich−Kister (RK) equation. Moreover, the effect of temperature on density (T = 288.15 − 323.15 K), dynamic viscosity (T = 288.15 − 323.15 K), and refractive index (T = 288.15 − 343.15 K) of the synthesized [Ch][Ala] was also evaluated and compared with literature. Dynamic viscosities of the pure components were determined and fitted using the Vogel− Fulcher−Tammann−Hesse (VFTH) equation.

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Section: Resultsmentioning

confidence: 87%

Section: Resultsmentioning

confidence: 98%

Thermophysical Properties of Mixtures Containing Cholinium l-Alaninate and Water, Ethanol, or Propan-1-ol

Velho,

Estevinho,

Macedo

2023

J. Chem. Eng. Data

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“…Ionicity was assessed through the EIS-measured ionic molar conductivity ratio and Nernst–Einstein conductivity derived from the PG-NMR-measured ion-diffusion coefficient. They reported that free ion fraction is directly correlated with ionicity, , whereas Lopes et al estimated the ILs ionicity in binary mixtures with the help of solubility data.…”

Section: Introductionmentioning

confidence: 99%

Theory-Enabled High-Throughput Screening of Ion Dissociation Explains Conductivity Enhancements in Diluted Ionic Liquid Mixtures

Chauhan,

Sartape,

Thorat

et al. 2023

ACS Sustainable Chem. Eng.

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The growing demand for room-temperature ionic liquids (RTILs) for energy applications necessitates the development of an efficient screening platform. In this study, we successfully developed a fully automated high-throughput RTIL screening platform specifically designed for assessing ionic conductivity. By utilizing the 96 wells of a microtiter plate as individual electrolysis cells, we measured the ionic conductivity of 22 different RTILs, encompassing various combinations of cations and anions, and benchmarked the values with existing literature. We also employed the screening platform to investigate the conductivities of RTIL mixtures with a nonaqueous solvent, ethylene glycol (EG). Specific combinations of RTILs with EG result in approximately 200% enhancement in the conductivity values compared to the pure RTILs. To understand the underlying mechanisms responsible for this enhancement, we developed a theoretical framework for ionic conductivity that considers factors such as the degree of dissociation, viscous forces, and molal volume of the RTIL-EG mixtures. The optimized electrolyte mixture was then employed in the migration-assisted moisture gradient (MAMG) CO 2 capture process to study the effects of improved ionic conductivity on the energy efficiency of the process. Notably, the enhanced conductivity of the RTIL-EG mixture led to a nearly 50% reduction in energy consumption for capturing CO 2 . These outcomes highlight the effectiveness of our strategy in screening RTILs and improving existing processes. Moreover, this fully automated high-throughput setup, combined with the developed theoretical framework, provides a comprehensive platform for screening and studying RTIL mixtures with different solvents, enabling their application in various fields.

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“…Immobilization of the ILs on a solid supporting mesoporous material has been extensively investigated in the field of catalytic research. − Mesoporous silica material, SBA-15, possesses outstanding properties such as ordered mesoporosity, controlled pore size, large surface area, controllable volume of pores, and thermal stability (Supporting Information). The above mentioned properties make SBA-15 a potentially suitable supporting candidate .…”

Section: Introductionmentioning

confidence: 99%

Isomerization of C₇ and C₈ through Ionic Liquids Supported by a Fe/SBA-15 Catalyst

Ramesh,

Perumal,

Mangesh

et al. 2023

Langmuir

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Isomerization is extensively utilized in the petroleum industry, and this study demonstrates an energy-efficient process utilizing an ionic liquid catalyst. 1-Ethyl-3-methylimidazolium triflate [Emim][TFO] as an ionic liquid was immobilized on solid support Fe/SBA-15. Variants of the catalyst were developed with the Fe constant at 5% and different ratios of ionic liquid. In the catalyst Fe/ [Emim][TFO]/SBA-15, the metal Fe was loaded via the impregnation method, and subsequently, the ionic liquid variants Fe/ [Emim][TFO](10)/SBA-15, Fe/[Emim][TFO](20)/SBA-15, and Fe/[Emim][TFO](30)/SBA-15 were synthesized. The physical properties of the synthesized catalyst were studied using standard characteristic techniques. The process performance was studied for variants of each parameter, which include temperature, hydrogen flow rate, pressure, and weight hourly space velocity. The iso-products of n-heptane and n-octane were obtained with an appreciable conversion of >90% and a selectivity of >95% with the catalyst Fe/[Emim][TFO](20)/SBA-15 among the other synthesized catalysts. The process yielded a high quantum of iso-products with negligible cracked products at a low temperature of 140 °C. The catalyst Fe/[Emim][TFO](20)/SBA-15 at 140 °C delivered the highest yield of iso-alkanes among the three catalysts. Iso-alkanes are instrumental tools for increasing the octane number of a fuel. This study delivers high iso-alkane content fuel, which can provide the best anti knock capability and enhance fuel efficiency for the life of modern high-powered engines. The results demonstrate a process that is energy-efficient, economic, and environmentally friendly.

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Predicting the ionicity of ionic liquids in binary mixtures based on solubility data

Cited by 11 publications

References 33 publications

Thermophysical Properties of Mixtures Containing Cholinium l-Alaninate and Water, Ethanol, or Propan-1-ol

Thermophysical Properties of Mixtures Containing Cholinium l-Alaninate and Water, Ethanol, or Propan-1-ol

Theory-Enabled High-Throughput Screening of Ion Dissociation Explains Conductivity Enhancements in Diluted Ionic Liquid Mixtures

Isomerization of C₇ and C₈ through Ionic Liquids Supported by a Fe/SBA-15 Catalyst

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Predicting the ionicity of ionic liquids in binary mixtures based on solubility data

Cited by 11 publications

References 33 publications

Thermophysical Properties of Mixtures Containing Cholinium l-Alaninate and Water, Ethanol, or Propan-1-ol

Thermophysical Properties of Mixtures Containing Cholinium l-Alaninate and Water, Ethanol, or Propan-1-ol

Theory-Enabled High-Throughput Screening of Ion Dissociation Explains Conductivity Enhancements in Diluted Ionic Liquid Mixtures

Isomerization of C7 and C8 through Ionic Liquids Supported by a Fe/SBA-15 Catalyst

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Isomerization of C₇ and C₈ through Ionic Liquids Supported by a Fe/SBA-15 Catalyst