Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water

Dohnal, Vladimı́r; Řehák, Karel; Morávek, Pavel

doi:10.1021/acs.jced.8b01146

Cited by 7 publications

(10 citation statements)

References 26 publications

(49 reference statements)

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“…In this study, the density values of LA measured were found to be similar to the ones of Gajardo-Parra et al, and the average relative deviation was equal to 0.013% (Figure S1). For the density of GVL, our experimental measurements were found to be identical to those of Zec et al with a relative deviation of 0.015% and Dohnal et al with a relative deviation of 0.023%.…”

Section: Resultssupporting

confidence: 87%

“…Knowledge of physicochemical properties’ evolution with temperature and pressure is essential in chemical engineering for scale-up, energy assessment, or cost evaluation. For the hydrogenation of levulinic acid or its esters to GVL, there is a lack of data concerning the evolution of some physicochemical properties such as density, viscosity, or specific heat capacity in the literature concerning these molecules. − …”

Section: Introductionmentioning

confidence: 99%

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Physicochemical Properties for the Reaction Systems: Levulinic Acid, Its Esters, and γ-Valerolactone

et al. 2020

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The use of biomass, particularly second generation one, as renewable raw material is crucial to sustain chemical industry. To favor the development of such processes, one needs to make a cost evaluation, which requires knowledge of processes thermodynamics and kinetics. In this paper, different physicochemical property measurements (viscosity, density, refractive index and specific heat capacity) were done for the systems: hydrogenation of levulinic acid or its esters to γ-valerolactone. From these physicochemical measurements, it was possible to extract the ones of the intermediates and perform a thermodynamic model assessment by using Aspen plus. It was found that Hysys Redlich-Kwong-Soave cubic equation of state and Benedict-Webb-Rubin-Starling virial equation state are suitable to describe these chemical systems.

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Section: Resultssupporting

confidence: 87%

Section: Introductionmentioning

confidence: 99%

Physicochemical Properties for the Reaction Systems: Levulinic Acid, Its Esters, and γ-Valerolactone

et al. 2020

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“…Růžička measured the enthalpy of vaporization and fusion as well as condensed phase heat capacity of GVL . Řehák studied the binary liquid–liquid equilibria of GVL with selected hydrocarbons referring to its biofuel applications and determined its thermal and volumetric properties . Ceriani’s group reported liquid–liquid equilibria data for three n -tetradecane-based ternary mixtures of GVL .…”

Section: Introductionmentioning

confidence: 99%

“…21 R ̌ehaḱ studied the binary liquid−liquid equilibria of GVL with selected hydrocarbons referring to its biofuel applications 24 and determined its thermal and volumetric properties. 25 Ceriani's group reported liquid−liquid equilibria data for three n-tetradecane-based ternary mixtures of GVL. 26 However, for its solvent or solvent−component application, the separation issues of GVL from well-known and commonly utilized organic reaction media is crucial and therefore its investigation is highly desired.…”

Section: ■ Introductionmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibria of Binary Mixtures of γ-Valerolactone + Acetone and Ethyl Acetate

2020

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γ-Valerolactone (GVL) has recently been considered as a suitable solvent for synthesis and catalysis. By the application of GVL in scaled-up processes, it can be mixed with various components, including commonly utilized polar aprotic solvents such as acetone and ethyl acetate. Herein, isobaric vapor–liquid equilibria (VLE) of acetone, ethyl acetate, and γ-valerolactone were investigated at p = 101.3 kPa with a vapor–liquid equilibrium. In addition, the VLE data series of GVL–water binary mixture was extended. The experimental data were correlated with Wilson, NRTL, and UNIQUAC activity coefficient models, whereas the results showed a greater difference to the UNIFAC model calculations. The refractive indexes of the mixture were also determined in the whole concentration range at T = 293.2 and 298.2 K.

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“…The mixing enthalpies H E of highly dilute solutions of (water + [BMPYR][OTF]) ( x IL ≤ 0.003) were measured by a refined flow mixing microcalorimetric setup described by us in detail previously and subsequently widely applied to various aqueous systems. ,, The setup consists of a modified isothermal microcalorimeter, model 4400 (CSC, Provo, USA), and two asymmetric syringe pumps for solvent water (400 mL) and the IL solute (8 mL). The calorimetric signal was calibrated just before the present measurements by the Joule effect delivered by a built-in calibrated heater.…”

Section: Methodsmentioning

confidence: 99%

Phase Equilibria, Thermodynamic Behavior, and Transport Properties of Aqueous Solutions of [BMPYR] Trifluoromethanesulfonate and [BMPYR] Tricyanomethanide

Havlová

Dohnal

2022

J. Chem. Eng. Data

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In this work, continuing our systematic studies on mixtures of 1-ethyl-3-methylimidazolium- or 1-butyl-1-methylpyrrolidinium (BMPYR)-based ionic liquids (ILs) with water, we thoroughly examine the thermodynamic and transport behavior of binary aqueous systems of two BMPYR-based ILs containing trifluoromethanesulfonate (OTF) and tricyanomethanide (TCM) as counterions. We performed accurate measurements of the phase equilibria, mixing enthalpy, density, viscosity, and electrical conductivity for these mixtures. The condensed phase equilibria were determined by employing dynamic measurements of freezing or cloud point temperatures and static solubility measurements for the mixtures, as well as DSC measurements on the neat ILs. The mixing enthalpy of [BMPYR][OTF] with water was determined at high IL dilutions and four temperatures in the range T = (288.15–318.15) K. Measurements of other properties were performed over the entire composition range (apart from the narrow miscibility gap in the dilute [BMPYR][TCM] region). The vapor–liquid equilibrium was determined by measuring water activity at seven equidistant temperatures in the range T = (288.15–318.15) K. The activity data were simultaneously correlated with those on either excess enthalpy (for [BMPYR][OTF]) or mutual liquid–liquid solubilities (for [BMPYR][TCM]) using an extended nonrandom two-liquid equation. This thermodynamic description of the systems was shown to be of outstanding global performance and allowed us to gain a deeper insight into their energetics. Density, viscosity, and conductivity for the mixtures, as well as of neat ILs, were measured at 10 temperatures covering the range T = (288.15–333.15) K and were adequately represented by suitable empirical relations. A consistent molecular-level interpretation of various facets of the observed behavior is presented in terms of an interplay of anion–water and water–water H-bonding, cation hydrophobic hydration, and ion pairing. Due comparison of new data with those available in the literature enabled us to discriminate their quality and identify some of the latter as incorrect.

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Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water

Cited by 7 publications

References 26 publications

Physicochemical Properties for the Reaction Systems: Levulinic Acid, Its Esters, and γ-Valerolactone

Physicochemical Properties for the Reaction Systems: Levulinic Acid, Its Esters, and γ-Valerolactone

Isobaric Vapor–Liquid Equilibria of Binary Mixtures of γ-Valerolactone + Acetone and Ethyl Acetate

Phase Equilibria, Thermodynamic Behavior, and Transport Properties of Aqueous Solutions of [BMPYR] Trifluoromethanesulfonate and [BMPYR] Tricyanomethanide

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