Thermodynamic investigations of excess heat capacities of ternary liquid mixtures containing [Bmmim][BF4] + [Bmim][BF4] or [Emim][BF4] + cyclopentanone or cyclohexanone

Gupta, Heena; Malik, Sunita; Chandrasekhar, Masta; Sharma, V.K.

doi:10.1007/s10973-017-6587-7

Cited by 10 publications

(2 citation statements)

References 52 publications

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“…In addition, a number of further IL data have been provided by the National Institute of Standards and Technology [262]. In the meantime, a number of recent papers have been published presenting further heat-capacity data of ILs [263,264,265,266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287].…”

Section: Resultsmentioning

confidence: 99%

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

Naef

2019

Molecules

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A universally applicable method for the prediction of the isobaric heat capacities of the liquid and solid phase of molecules at 298.15 K is presented, derived from their “true” volume. The molecules’ “true” volume in A3 is calculated on the basis of their geometry-optimized structure and the Van-der-Waals radii of their constituting atoms by means of a fast numerical algorithm. Good linear correlations of the “true” volume of a large number of compounds encompassing all classes and sizes with their experimental liquid and solid heat capacities over a large range have been found, although noticeably distorted by intermolecular hydrogen-bond effects. To account for these effects, the total amount of 1303 compounds with known experimental liquid heat capacities has been subdivided into three subsets consisting of 1102 hydroxy-group-free compounds, 164 monoalcohols/monoacids, and 36 polyalcohols/polyacids. The standard deviations for Cp(liq,298) were 20.7 J/mol/K for the OH-free compunds, 22.91 J/mol/K for the monoalcohols/monoacids and 16.03 J/mol/K for the polyols/polyacids. Analogously, 797 compounds with known solid heat capacities have been separated into a subset of 555 OH-free compounds, 123 monoalcohols/monoacids and 119 polyols/polyacids. The standard deviations for Cp(sol,298) were calculated to 23.14 J/mol/K for the first, 21.62 J/mol/K for the second, and 19.75 J/mol/K for the last subset. A discussion of structural and intermolecular effects influencing the heat capacities as well as of some special classes, in particular hydrocarbons, ionic liquids, siloxanes and metallocenes, has been given. In addition, the present method has successfully been extended to enable the prediction of the temperature dependence of the solid and liquid heat capacities in the range between 250 and 350 K.

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Section: Resultsmentioning

confidence: 99%

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

Naef

2019

Molecules

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“…A review of the literature revealed that thermodynamic properties of ternary mixtures containing the IL [EMIM][BF 4 ] with various organic solvents have been explored at varying temperatures by a number of researchers. − There have been no data published on the thermodynamic properties of the currently explored ternary mixtures. As a result, the originality of the current study is emphasized.…”

Section: Introductionmentioning

confidence: 99%

Experimental Measurements, Correlation, and Prediction Models to Study 1-Ethyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid Ternary Mixtures

Masilo,

Singh,

Bahadur

et al. 2024

J. Chem. Eng. Data

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Volumetric and acoustic properties were obtained using density, ρ 123 , and speed of sound, u 123 , experimental values for ternary systems of {[EMIM][BF 4 ] (x 1 ) + acetic acid (x 2 ) + acetophenone (x 3 )} (mix 1 ) and {[EMIM][BF 4 ] (x 1 ) + propionic acid (x 2 ) + acetophenone (x 3 )} (mix 2 ) at T = (293.15−333.15) K and 0.1 MPa. The observed V m123 Eand Δk s123 data of the studied ternary mixtures were modeled with a total of 63 evaluated models, which resulted from a sum of each of nine predictive terms (no estimated parameters) with each of seven correlative terms (estimated parameters). The entire model is a correlative model, and if all of the parameters of the correlative term are set to zero, it becomes a predictive model. The ideal number of parameters in the correlation was then approximated using standard deviations (σ). For mix 1 , V m123 E was only negative and Δk s123 was only positive, while for mix 2 both negative and positive results were found for each property. Also, quantitative results point out that mix 1 is closer to ideal behavior than mix 2 . The modeling for mix 2 employed more complex equations, with more parameters, and even so presented worse deviations than for mix 1 . These results evidence the effect of one CH 2 in the acid chain on the thermodynamic properties of these mixtures.

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Physico-Chemical Characterization of Binary and Ternary Mixtures of Imidazolium Based Cation and Common Anion Ionic Liquids with Lactams

et al. 2021

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Thermodynamic investigations of excess heat capacities of ternary liquid mixtures containing [Bmmim][BF4] + [Bmim][BF4] or [Emim][BF4] + cyclopentanone or cyclohexanone

Cited by 10 publications

References 52 publications

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

Experimental Measurements, Correlation, and Prediction Models to Study 1-Ethyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid Ternary Mixtures

Physico-Chemical Characterization of Binary and Ternary Mixtures of Imidazolium Based Cation and Common Anion Ionic Liquids with Lactams

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