Thermodynamic properties of binary mixtures of the ionic liquid [emim][BF4] with acetone and dimethylsulphoxide

Bhagour, S.; Solanki, S.; Hooda, Neeti; Sharma, Dimple; Sharma, V.K.

doi:10.1016/j.jct.2013.01.010

Cited by 45 publications

(28 citation statements)

References 56 publications

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“…This aggregation behavior of ILs in PCM cosolvents − as well as in aqueous environments ,,− has been studied and reported extensively. These volume changes are consistent with the experimental results for other ILs with short cation chain lengths (methyl to butyl) and other cosolvents. − ,− , It can be noted that for all of the cases studied, the overall changes in volume are very small. This indicates that the IL/PCM mixtures are nearly ideal volumetrically ( V E ≈ 0).…”

Section: Resultssupporting

confidence: 87%

“…These excess thermodynamic mixture properties are required for chemical processing and process design. Although there have been several experimental and simulation studies on other imidazolium-based ILs and cosolvents prior to this study, − studies on these particular [EMIM][Ac] cosolvent systems have been sparse . For ideal mixtures, the net enthalpies and volumes of mixing both equal zero, but this does not hold true for real mixtures, where nonzero heats and volumes of mixing can be attributed to the structural changes as a result of intermolecular interactions such as hydrogen bonding and electrostatics.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamics of Ionic Liquid Cosolvent Mixtures Using Molecular Dynamics Simulation: 1-Ethyl-3-methylimidazolium Acetate

Bandlamudi

Benjamin

2018

J. Chem. Eng. Data

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Molecular dynamics (MD) simulations were conducted to calculate the binary mixture properties (excess molar heats and volumes) of 1-ethyl-3-methylimidazolium acetate [EMIM][Ac] with six polar covalent molecules (acetic acid, acetone, chloroform, dimethyl sulfoxide, isopropyl alcohol, and methanol) over the entire composition range. All of the binary mixtures of [EMIM][Ac] with cosolvents reported negative volumes of mixing over the entire composition range while releasing heat (exothermic heats of mixing), except for the acetone mixture, which had miscibility issues at higher concentrations (x acetone ≥ 0.6). These results were attributed to the nature, size, and structure of the molecules as well as the nature of the interaction between the mixture components. Further, aggregation of the ionic liquid (IL) at higher concentrations of the cosolvent added to the above observed effects, except for the acetic acid mixture. These results have been interpreted in terms of hydrogen-bonding and intermolecular interactions among the binary mixture components via radial distribution functions. The results showed that hydrogen-bonding interactions between the IL and cosolvent play a major role in the volumetric and energetic properties of the mixtures. In the case of the acetic acid mixture, aggregation of acetic acid molecules is reported at lower concentrations of acetic acid (x acetic acid = 0.1), while [EMIM][Ac] molecules were completely solvated at higher concentrations of acetic acid (x acetic acid = 0.9). Mixtures of [EMIM][Ac] with methanol showed isolated methanol molecules at lower concentrations of methanol (x methanol = 0.1), whereas IL ions aggregated to form pairs at higher concentrations of methanol.

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Section: Resultssupporting

confidence: 87%

Section: Introductionmentioning

confidence: 99%

Thermodynamics of Ionic Liquid Cosolvent Mixtures Using Molecular Dynamics Simulation: 1-Ethyl-3-methylimidazolium Acetate

Bandlamudi

Benjamin

2018

J. Chem. Eng. Data

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“…Singh et al [43] have also shown that the value of 3 n of a molecule represents a measure of the probability that its surface area interacts effectively with the corresponding surface area of another molecule and within the same isomeric species, the molar volume of a molecule varies inversely as its 3 n. Excess molar volumes, V E , excess molar enthalpies, H E , excess isentropic compressibilities, j E S , and excess Gibbs energy, G E , of binary or ternary liquid mixtures have been successfully determined [44][45][46][47][48][49][50] by utilizing 3 n values of the constituent molecules (Graph theory).…”

Section: Conceptual Aspects Of Graph Theorymentioning

confidence: 99%

Excess Heat Capacities of Binary Mixtures Containing o-Chlorotoluene and Pyridine or Isomeric Picolines or Aromatic Hydrocarbons

Sharma

Dua

2015

J Solution Chem

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The excess molar heat capacities, C E P À Á 12 , of binary mixtures of o-chlorotoluene (1) with pyridine, a-, b-or c-picoline, benzene, toluene or o-xylene (2) have been measured as a function of composition at 298.15, 303.15 and 308.15 K using a micro differential scanning calorimeter (Model-lDSC 7 Evo). The C E P À Á 12 data have been fitted with the Redlich-Kister equation to calculate binary adjustable parameters along with standard deviations. The sign and magnitude of values of o-chlorotoluene (1) ? pyridine or a-or b-picoline (2) are dictated by the relative proportion of components in the mixtures. However C E P À Á 12 values for o-chlorotoluene (1) ? c-picoline (2) mixture are positive and C E P À Á 12 values for o-chlorotoluene (1) ? benzene or toluene or o-xylene (2) mixtures are negative over the entire mole fraction range. The topology of the constituent molecules has been employed (Graph theory) to determine the C E P À Á 12 data of the studied mixtures. It has been observed that C E P À Á 12 values obtained by Graph theory are in agreement with the experimental values.

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“…The thermophysical and thermodynamic properties of [EMIM] + [BF 4 ] − and their binary mixtures with water, − acetone, acetonitrile, DMSO, DMF, DMA, − 2-ethoxyethanol, 2.2.2trifluoroethanol, , cyclopentanone, cyclohexanone, methyl ethyl ketone, 2-pyrrolidone, 1-methyl-2-pyrrolidone, ,, aniline, N -methyl aniline, and 2-methyl aniline , have been reported in the literature at various temperatures. The binary mixtures reported for [EMIM] + [MeSO 4 ] − in the literature are with alcohols (C 1 –C 9 ) − and water, , and also, binary mixtures of [EMIM] + [MeSO 4 ] − with acetic and propionic acid are reported in the literature at temperatures of 298.15–318.15 K .…”

Section: Introductionmentioning

confidence: 99%

Intermolecular Interactions between 1-Ethyl-3-methylimidazolium-Based Ionic Liquids with Carboxylic Acid at Different Temperatures via Thermodynamic and Spectroscopic Studies

Masilo

Bahadur

2021

J. Chem. Eng. Data

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In this work, we studied the intermolecular interactions of binary mixtures of 1-ethyl-3-methylimidazolium-based ionic liquids (ILs) with acetic or propionic acid. The physicochemical behavior of the binary mixtures was investigated by measuring the thermophysical properties, including the density (ρ), sound velocity (u), and refractive index (n D ), over the complete range of the IL mole fraction at T = 293.15−333.15 K and p = 0.1 MPa. The surface tension (γ) of the binary mixtures was also measured at T = 298.15 K but not determined under other studied temperatures due to the lack of a temperature controller. The excess molar volumes (V m E ), excess isentropic compressibilities (k s E ), excess sound velocity (u E ), intermolecular free length (L f ), deviation in the refractive index (Δn D ), and deviation in the surface tension (Δγ) were determined from experimental results. These parameters were further fitted to the Redlich−Kister polynomial equation. FTIR studies of pure components and binary systems at an equimolar composition were conducted to clarify results from thermodynamic properties and also analyze the intermolecular interactions occurring in the mixture. A survey on available literature data was carried out to compare with our experimental data. The selected ILs allowed us to compare the influence of the anion on the thermophysical and thermodynamic properties the mixtures.

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Thermodynamic properties of binary mixtures of the ionic liquid [emim][BF4] with acetone and dimethylsulphoxide

Cited by 45 publications

References 56 publications

Thermodynamics of Ionic Liquid Cosolvent Mixtures Using Molecular Dynamics Simulation: 1-Ethyl-3-methylimidazolium Acetate

Thermodynamics of Ionic Liquid Cosolvent Mixtures Using Molecular Dynamics Simulation: 1-Ethyl-3-methylimidazolium Acetate

Excess Heat Capacities of Binary Mixtures Containing o-Chlorotoluene and Pyridine or Isomeric Picolines or Aromatic Hydrocarbons

Intermolecular Interactions between 1-Ethyl-3-methylimidazolium-Based Ionic Liquids with Carboxylic Acid at Different Temperatures via Thermodynamic and Spectroscopic Studies

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