Thermodynamic, excess and optical studies on the intermolecular interactions of binary liquid mixtures of imidazolium based ILs

Krishna, T. Srinivasa; Narendra, K.; Sankar, M. Gowri; Nain, Anil Kumar; Munibhadrayya, B.

doi:10.1016/j.jct.2016.03.029

Cited by 23 publications

(5 citation statements)

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“…For all of the mixtures investigated in the reported work, deviation in the speed of sound (Δ u ) values have been presented in Table S1, and their variation with mole fraction of NVP ( x 1 ) is depicted graphically in Figure S5. These values have been found to be negative for all of the systems under investigation over the whole range of mole fractions and at all temperatures, with the most negative values observed for the NVP + TEGMME system, followed by NVP + DEGMBE and NVP + DEGMEE systems. , The order of deviation in the speed of sound (Δ u ) for the three systems follows the following trend NVP + TEGMME > NVP + DEGMBE > NVP + DEGMEE These values become more negative as the temperature increases, indicating that the dispersive interactions are becoming more potent with increasing temperature. For all of the mixtures investigated in the reported work, the excess isentropic compressibility (κ s E ) values are presented in Tables –, and their variation against NVP mole fractions is depicted graphically in Figure .…”

Section: Resultsmentioning

confidence: 87%

“…These values have been found to be negative for all of the systems under investigation over the whole range of mole fractions and at all temperatures, with the most negative values observed for the NVP + TEGMME system, followed by NVP + DEGMBE and NVP + DEGMEE systems. 61,62 The order of deviation in the speed of sound (Δu) for the three systems follows the following trend…”

Section: Resultsmentioning

confidence: 98%

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Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

Bakshi

Sharma

2023

J. Chem. Eng. Data

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Thermophysical properties such as density (ρ), speed of sound (u), and refractive index (n D) for pure N-vinyl-2-pyrrolidinone (NVP) and binary mixtures of NVP with 2-(2-ethoxyethoxy)ethanol (DEGMEE), 2-(2-butoxyethoxy)ethanol (DEGMBE), and 2-(2-(2-ethoxyethoxy)ethoxy)ethanol (TEGMME) have been measured over the whole range of mole fraction from temperature T = (298.15 to 323.15) K and at 0.1 MPa pressure employing an Anton Paar vibrating U-tube density and sound velocity meter (DSA 5000 M) and an Abbemat refractometer, respectively. To quantify the nonideality in these systems, the experimental data has been used to evaluate various acoustical and thermodynamic parameters, such as excess molar volume (V m E), deviation in the speed of sound (Δu), isentropic compressibility (κs), excess isentropic compressibility (κs E), deviation in refractive index (Δn D), molar refraction (R m), and polarizability (α). Molecular interactions prevailing in these systems have been explained in terms of variation in the measured and calculated values of physicochemical parameters. The collected thermophysical data can be employed in the optimization and design of a desulfurization/CO2-capture process utilizing the studied solutions. Furthermore, this data can also be utilized for the theoretical model extension as well as in solving many difficult engineering problems such as fluid flow, heat and mass transfer, and energy transformations.

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Section: Resultsmentioning

confidence: 87%

Section: Resultsmentioning

confidence: 98%

Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

Bakshi

Sharma

2023

J. Chem. Eng. Data

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“…In particular, Figure S12 shows that CP-PC-SAFT with k 12 = 0 predicts the available atmospheric pressure VLE data − in the system benzene(1)–NMP(2) more accurately than with k 12 = 0.023. Finally, Figure S13 demonstrates that CP-PC-SAFT with k 12 = 0 yields reliable predictions of the ambient pressure sound velocity data at 308.15 K ,− in the systems of NMP with chloroform, o -xylene, and pyridine along with ionic liquids [C 4 mim][Ntf 2 ], [C 4 mim][PF 6 ], and [C 4 mim][BF 4 ]. In this respect, it should be emphasized that reasonably small k 12 values have insignificant impact on modeling this property.…”

Section: Resultsmentioning

confidence: 91%

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Fredj Elias,

Polishuk

2024

Ind. Eng. Chem. Res.

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This study examines the accuracy of the simplest polarity-and association-neglecting forms of the critical point-based revision of perturbed chainstatistical association fluid theory (CP-PC-SAFT) predicting phase equilibria in the systems of N-methyl-2-pyrrolidone (NMP) with n-alkanes and nonpolar gases using the universal value of the binary parameter k 12 = 0.023. Previously, this value was obtained for the propane−phenol system, and its applicability for predicting phase equilibria in systems of various substituted aromatic and cyclic compounds by CP-PC-SAFT is assessed. It is found that this approach accurately predicts highpressure vapor−liquid ones (VLE) in the systems of NMP with nitrogen, methane, ethane, and carbon dioxide, slightly overestimates the solubility of argon in NMP, and overpredicts immiscibility in the systems of propane and n-butane. Additionally, despite some scattering, CP-PC-SAFT yields reliable predictions of the upper critical solution temperature (UCST) data in the systems of NMPheavier n-alkanes including n-hexadecane. It is also found that similar to the previously considered systems of substituted aromatic compounds, CP-PC-SAFT accurately estimates the compositions of the NMP-rich LLE phases but overpredicts the content of NMP in the n-alkane-rich ones. These results are compared with the predictions of PC-SAFT with various sets of pure compound parameters for NMP and the previously investigated substituted aromatic compounds. It appears that the lack of a standardized PC-SAFT parametrization scheme represents a significant obstacle to the implementation of this model to systems of different solvents with transferrable universal k 12 values. At the same time, PC-SAFT approaches that consider self-association may predict broader LLE phase splits. Incorporating LLE data into the parametrization procedures of such approaches can significantly improve accuracy at the expense of predictive capability.

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“…In many instances, variation of a thermodynamic property with the composition of a binary mixture is recorded in relative values, as excess differences from the ideally expected values. Thus, plots of viscosities, 1,9 excess molar volumes, 4,6,8,19,20 isentropic compressibilities, 4,19,20 refractive indices, 19,21 or enthalpies 5,20,22 are encountered, where the experimental data are fitted with equations derived from different models, with variable success. Such plots are not amenable to an analysis based on their NIIs, since this index was defined as a ratio between two areas, NII = A 1 /A 2 (see Figure 1), and A 2 = 0 in these excess plots.…”

Section: Resultsmentioning

confidence: 99%

Use of Nonideality Parameters for the Analysis of the Thermodynamic Properties of Binary Mixtures

et al. 2021

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Two parameters are introduced, a nonideality index (NII) and a nonideality area (NIA), for the analysis of the variations of thermodynamic properties of binary mixtures. Their calculation is based, for the NII, on experimental plots of the variation of a given property (density, refractive index, viscosity, etc.), and for the NIA, on experimental plots of its excess value (excess enthalpies, molar volumes, viscosities, refractive indices, isentropic compressibilities, etc.) with the mixture composition. Both nonideality parameters are therefore not based on any theoretical model or on its derived parameters, being applicable with any fitting equation. The NII or NIA values for a thermodynamic property of a series of related binary mixtures reveal interesting trends, which are not evident in most analyses of such systems. Besides their predictive value, these trends provide information on the relevance of solvent characteristics of the binary mixture, thus supporting new insights or interpretations of the experimental data.

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Thermodynamic, excess and optical studies on the intermolecular interactions of binary liquid mixtures of imidazolium based ILs

Cited by 23 publications

References 50 publications

Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Use of Nonideality Parameters for the Analysis of the Thermodynamic Properties of Binary Mixtures

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Thermodynamic, excess and optical studies on the intermolecular interactions of binary liquid mixtures of imidazolium based ILs

Cited by 23 publications

References 50 publications

Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

Volumetric, Acoustic, and Refractive Behavior of Acid Gas Absorbers: N-Vinyl-2-pyrrolidinone and Glycol Ethers (2-(2-Ethoxyethoxy)ethanol, 2-(2-Butoxyethoxy)ethanol, and 2-(2-(2-Methoxyethoxy)ethoxy)ethanol)

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k12 Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Use of Nonideality Parameters for the Analysis of the Thermodynamic Properties of Binary Mixtures

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Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds