Solute–solvent interactions of glycine, l -alanine, and l -valine in aqueous 1-methyl imidazolium chloride ionic liquid solutions in the temperature interval (288.15 to 308.15) K

Pal, Amalendu; Kumar, Harsh; Maan, Ritu; Sharma, Harish Kumar; Sharma, Sanjay

doi:10.1016/j.jct.2015.07.038

Cited by 34 publications

(5 citation statements)

References 59 publications

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“…The infinite dilution apparent molar volumes, Δ V ϕ,tr 0 , and adiabatic compressibilities, Δ K ϕ,tr 0 , for transfer of the investigated ILs from water to aqueous glycine solutions were determined by using the following equations: Table indicates that the values of both Δ V ϕ,tr 0 and Δ K ϕ,tr 0 are positive and decrease with increase in temperature. According to the cosphere overlap model, four types of different interactions can occur in these systems: ,,− (i) ionic–hydrophilic interactions between hydrophilic group (NH 3 + , COO – ) of glycine and the anions and cation of the IL; (b) hydrophobic–hydrophobic interactions between the hydrophobic part of glycine and the alkyl chain of the imidazolium cation of IL; (c) ionic–hydrophobic interactions between the ions of IL and hydrophobic part of glycine; (d) hydrophilic–hydrophobic interactions between hydrophilic groups of glycine and the alkyl chain of the imidazolium cation of IL. According to this model, among the different interactions occurring between glycine and IL, only the interaction type (i) through the reduction of electrostriction effect of water in the hydration cosphere of IL will lead to positive values for Δ V ϕ,tr 0 , whereas the other interactions (ii–iv) through the enhancement of electrostriction effect of water in the hydration cosphere of IL will lead to negative Δ V ϕ,tr 0 .…”

Section: Resultsmentioning

confidence: 99%

Vapor Pressure Osmometry, Volumetry, and Compressibility Properties for Solutions of Several Imidazolium Based Ionic Liquids in (Glycine + Water) Solutions

Noshadi

Sadeghi

2017

J. Chem. Eng. Data

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In this study, the effect of glycine on the thermodynamic properties of aqueous solutions containing ionic liquids 1-butyl-3-methylimidazolium chloride, [C 4 mim]Cl, 1-hexyl-3-methylimidazolium chloride, [C 6 mim]Cl, 1-butyl-3-methylimidazolium trifluoromethanesulfonate, [C 4 mim][CF 3 SO 3 ], has been studied. For this purpose, first with help of the vapor pressure osmometery (VPO) method the water activity measurements have been performed on the ternary aqueous systems of (glycine + [C 4 mim]Cl, [C 6 mim]Cl, and [C 4 mim][CF 3 SO 3 ]) at T = 308.15 K. The influence of the IL nature on the vapor− liquid equilibria behavior of the investigated systems has been studied. The VPO measurements of these solutions show that due to the unfavorable IL-glycine interactions, the negative deviations from the semi-ideal state and in conclude the soluting-out effects have been observed in these solutions. The soluting-out phenomena appears by aqueous biphasic system formation in the case of aqueous [C 4 mim][CF 3 SO 3 ] + glycine system and precipitation of the glycine from the solution in the case of ternary [C 4 mim]Cl/[C 6 mim]Cl + glycine + water systems. In the second part of this work, density and sound velocity of solutions of the ILs in pure water and aqueous glycine solutions have been measured at four different temperatures. These data were used to obtain the apparent molar volume, V ϕ , isentropic compressibility, K ϕ , and those in the infinite dilution.

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Section: Resultsmentioning

confidence: 99%

Vapor Pressure Osmometry, Volumetry, and Compressibility Properties for Solutions of Several Imidazolium Based Ionic Liquids in (Glycine + Water) Solutions

Noshadi

Sadeghi

2017

J. Chem. Eng. Data

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“…e speed of sound has been measured at a reduced wavelength and a low frequency of approximately 3 MHz [16,17], and the precision is ±0.01 m•s −1 . e temperature was controlled by several Peltier units with a precision of ±0.001 K for obtaining the speed of sound and density experimental data.…”

Section: Methodsmentioning

confidence: 99%

A Thermodynamics Study on the Tetrahydrofuran Effect in Exfoliated Graphite Nanoplatelets and Activated Carbon Mixtures at Temperatures between 293.15 and 308.15 K

Sîrbu

Ion

Capră

et al. 2018

Advances in Materials Science and Engineering

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A thermodynamics study on exfoliated graphite nanoplatelets dispersed in tetrahydrofuran in comparison with activated carbon dispersed in same solvent was realised. The refractive index, speed of sound, and density of diluted mixed binary solutions of exfoliated graphite nanoplatelets and activated carbon in tetrahydrofuran were measured between 0 and 100 kg·m−3with composition step of 20 kg·m−3and at temperatures from 293.15 to 308.15 K and at normal pressure. The isentropic compressibility, acoustic impedance, specific refraction, relaxation strength, and space-filling factor have been evaluated for six concentrations, at four different temperatures for each system. The identified possible molecular interactions between the edges and the surface of exfoliated graphite nanoplatelets and tetrahydrofuran molecules, which include modifications in the structure of exfoliated nanostructured materials in tetrahydrofuran solvent and the influence of the temperature, and of the solute concentration have been calculated based on the obtained experimental values.

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“…Modeling activity coefficients in multicomponent reaction mixtures requires PC-SAFT pure-component (Table ) and binary-interaction parameters (Table ). PC-SAFT pure-component parameters of [MIM]Cl were fitted in this work to the literature activity coefficient data as well as to the density data , of [MIM]Cl in aqueous solution with an average absolute deviation of 0.418 kg/m 3 for the density data (average relative deviation of 0.042%) and an ARD of 1.59% for the activity coefficient data. The procedure from Passos et al for the parameterization of [BMIM]Cl was inherited, i.e., for both ILs, it was assumed that they interact with water by induced association .…”

Section: Thermodynamics Of Hmf Synthesis and Pc-saft Modelingmentioning

confidence: 99%

5-Hydroxymethylfurfural Synthesis in Nonaqueous Two-Phase Systems (NTPS)–PC-SAFT Predictions and Validation

Knierbein

Voges

Held

2020

Org. Process Res. Dev.

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The condensation reaction of fructose to 5-hydroxymethylfurfural (HMF) is acid-catalyzed, and it suffers from thermodynamic limitation of the conversion, poor kinetics, and consecutive reactions such as formation of humins from HMF. Different approaches exist to overcome these limitations. In this work, the combination of a nonaqueous solvent and a suitable extraction system is presented that ensures high reaction selectivity at full conversion, fast kinetics, and high partition selectivity of the product HMF over reactant fructose, keeping the temperature as low as 70 °C. In the first step of this work, the equation of state PC-SAFT was used to predict solvent effects on the reaction equilibrium of homogenous reaction systems. It was found that the two hydrophilic ionic liquids (ILs) [BMIM]Cl and [MIM]Cl shifted the reaction equilibrium to the product side by factors of 230 and 40, respectively, compared to the reaction in water. The predictions were verified by experimental data, which showed full conversion of fructose to HMF within less than 20 (60) min for the reaction in [MIM]Cl ([BMIM]Cl) with a high selectivity of up to 80%. Even more, the reaction in the [MIM]Cl solvent did not require adding a catalyst due to the acidic character of this IL. In the second step of this work, an in situ extraction of HMF was performed using a nonaqueous two-phase reaction system NTPS that was designed with PC-SAFT. The NTPS contains the reaction phase (either [BMIM]Cl or [MIM]Cl) and the extraction agent, i.e., one of the ketones MEK, MIBK, or ethyl acetate. These IL + organic solvent NTPSs were analyzed and evaluated toward fructose conversion and partitioning of fructose and of HMF. PC-SAFT predicted that, among all systems studied in this work, the NTPS IL + MEK was the most promising for the reaction of fructose to HMF and the in situ removal of HMF from fructose. Experimental results could validate the PC-SAFT predictions, that is, IL + MEK NTPSs allowed efficient conversion of fructose to HMF and a partition selectivity of HMF over fructose of about 100%. This new NTPS does not require an additional catalyst due to the acidity of [MIM]Cl; it allows a high reaction selectivity of 87% at 20 min and 93% conversion, and it moreover provides high separation efficiency. In sum, these results open the door for further developments of in situ extraction systems in the future for efficient and fast fructose conversion and HMF separation from the reacting phase, keeping the temperature as low as possible.

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Solute–solvent interactions of glycine, l -alanine, and l -valine in aqueous 1-methyl imidazolium chloride ionic liquid solutions in the temperature interval (288.15 to 308.15) K

Cited by 34 publications

References 59 publications

Vapor Pressure Osmometry, Volumetry, and Compressibility Properties for Solutions of Several Imidazolium Based Ionic Liquids in (Glycine + Water) Solutions

Vapor Pressure Osmometry, Volumetry, and Compressibility Properties for Solutions of Several Imidazolium Based Ionic Liquids in (Glycine + Water) Solutions

A Thermodynamics Study on the Tetrahydrofuran Effect in Exfoliated Graphite Nanoplatelets and Activated Carbon Mixtures at Temperatures between 293.15 and 308.15 K

5-Hydroxymethylfurfural Synthesis in Nonaqueous Two-Phase Systems (NTPS)–PC-SAFT Predictions and Validation

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