The analysis of liquid–liquid equilibria (LLE) of toluene + heptane + ionic liquid ternary mixture using intelligent models

Shaahmadi, Fariborz; Anbaz, Mohammad Amin; Bazooyar, Bahamin

doi:10.1016/j.cherd.2017.12.029

Cited by 16 publications

(2 citation statements)

References 88 publications

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“…Figure shows that when temperature decreased, the values of S for DES2 and DES5 increased, unlike the S values for DES1 and DES4. This trend is explained by the fact that when the temperature increases, the molecules move more quickly and the interaction between the DESs and hydrocarbons are weakened. ,, These results show that the values of S depend on temperature as well as the mole ratio of the HBD and HBA in the DES. While the effect of temperature on the values of S for DES3 and DES6 is insignificant, the effect of mole fraction of toluene in the raffinate phase plays a role in determining S values at all three temperatures (Table ).…”

Section: Resultsmentioning

confidence: 74%

Thermophysical Properties and Liquid–Liquid Equilibria of Pseudoternary Systems {Toluene + n-Heptane + Deep Eutectic Solvents Based on Levulinic Acid}

Jung

Park

2022

J. Chem. Eng. Data

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Three deep eutectic solvents (DESs), DES1−DES3, were prepared using levulinic acid and choline chloride with molar ratios of 3:1, 4:1, and 5:1, respectively. Another three DESs, DES4−DES6, were prepared using levulinic acid and acetylcholine chloride with the same molar ratio. The density and viscosity of all six DESs were experimentally measured at temperatures ranging from 293.2 to 323.2 K. Both the density and logarithmic value of viscosity of all DESs follow a linear tendency with respect to temperature and reciprocal temperature, respectively. The liquid−liquid equilibria (LLE) for the pseudobinary systems of both toluene and the DES and n-heptane and the DES were performed over a temperature range from 298.2 to 318.2 K with a 10 K interval. The solubilities of toluene in DESs were higher than those of n-heptane in DESs. The LLE of the pseudoternary systems of toluene, n-heptane, and DESs were obtained over a temperature range of 298.2−318.2 K with a 10 K interval. The distribution coefficient of toluene and selectivity were determined. The values of selectivity of toluene with DESs measured in this study were higher than those of other conventional solvents. Not only the mole fraction of toluene in the raffinate phase and temperature but also the mole ratio between the hydrogen bond acceptor and the hydrogen bond donor plays a role in determining both the distribution coefficient of toluene and selectivity.

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Section: Resultsmentioning

confidence: 74%

Thermophysical Properties and Liquid–Liquid Equilibria of Pseudoternary Systems {Toluene + n-Heptane + Deep Eutectic Solvents Based on Levulinic Acid}

Jung

Park

2022

J. Chem. Eng. Data

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“…Both NMP and DMF are on the REACH list of substances of very high concern (SVHC); still, they are used as extraction solvents in several extraction processes. They can be used for liquid–liquid extraction (LLX) of aromatics from mixtures of aliphatic hydrocarbons − or for desulfurization of diesel. − The use of NMP and DMF in these applications could possibly be substituted by several safer solvents such as sulfolane, ,, organic carbonates, ,− γ-valerolactone, N -formylmorpholine, − glycols, − furfural, , ionic liquids − and deep eutectic solvents. ,− …”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Properties and Phase Equilibria of Dihydrolevoglucosenone and Its Mixtures with Hydrocarbons

Jeřábek,

Štejfa,

Klajmon

et al. 2023

J. Chem. Eng. Data

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Thermodynamic and computational study of a biomass-derived solvent dihydrolevoglucosenone (DLG) and its mixtures with hydrocarbons is presented in this work. Density and dynamic viscosity of DLG were measured within the temperature range of 293.15−353.15 K. Phase behavior of DLG above 183 K was analyzed using heat-flux differential scanning calorimetry, providing data on its melting temperature and enthalpy of fusion. Heat capacity of DLG was measured using a Tian-Calvet calorimeter at temperatures between 253 and 353 K. Two static apparatuses were utilized to measure the vapor pressure of DLG in the temperature range of 253−363 K. A thermodynamically consistent description was achieved by simultaneous correlation of experimental values of phase behavior, heat capacities, vapor pressures, and theoretical calculations. Liquid−liquid equilibria (LLE) data in four binary DLG and hydrocarbons (n-hexane, cyclohexane, n-decane, and ntetradecane) systems were determined using a combination of volumetric, cloud-point, and direct analytical methods. The obtained LLE data were employed to thermodynamically describe the binary mixtures using the nonrandom two-liquid (NRTL) equation and estimate critical points using the Extended-Scaling Law (ESL) equation. Furthermore, the pure-component data developed in this work were used to determine two new sets of parameters for DLG within the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state: one with and one without the explicit inclusion of the dipole moment of DLG in the model theory. In addition, one more set of parameters for DLG developed earlier by other authors was included. PC-SAFT with all three parameter sets was then examined in terms of its performance regarding the description of the LLE in the systems studied. Both correlations (with optimized k ij ) and pure predictions (k ij = 0) were considered and discussed. Interestingly, it appears that the better PC-SAFT with a particular parameter set for DLG performs for the properties of pure DLG, the worse are the results for the LLE in the DLG + hydrocarbon systems. For example, PC-SAFT with the nonpolar parameters for DLG provided more accurate results for pure DLG than its polar counterparts, while it quantitatively failed for the LLE.

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Thermodynamics and kinetic analysis of membrane: Challenges and perspectives

et al. 2023

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The analysis of liquid–liquid equilibria (LLE) of toluene + heptane + ionic liquid ternary mixture using intelligent models

Cited by 16 publications

References 88 publications

Thermophysical Properties and Liquid–Liquid Equilibria of Pseudoternary Systems {Toluene + n-Heptane + Deep Eutectic Solvents Based on Levulinic Acid}

Thermophysical Properties and Liquid–Liquid Equilibria of Pseudoternary Systems {Toluene + n-Heptane + Deep Eutectic Solvents Based on Levulinic Acid}

Thermodynamic Properties and Phase Equilibria of Dihydrolevoglucosenone and Its Mixtures with Hydrocarbons

Thermodynamics and kinetic analysis of membrane: Challenges and perspectives

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