Liquid-liquid equilibria for separation of benzothiophene from model fuel oil: Solvent screening and thermodynamic modeling

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To explore the separation of formaldehyde from its aqueous solution, the liquid–liquid equilibrium data for the systems (water + formaldehyde + methyl isobutyl ketone/cyclohexanone) were measured at 303.15, 313.15, and 323.15 K in 101.3 kPa. The separation effect was judged by the separation factor and the partition coefficient. The S values of methyl isobutyl ketone and cyclohexanone are greater than unity, and the S and D values of cyclohexanone are greater than methyl isobutyl ketone, indicating that cyclohexanone is a suitable extractant compared with methyl isobutyl ketone. The reliability of the measured data is evaluated by Hand and Othmer–Tobias equations, and the R 2 values of the two equations are close to unity. The universal quasi-chemical theory and nonrandom two-liquid theory models were applied to fit the tie-line data of the investigated mixtures with a root mean square deviation lower than 0.01. Moreover, the binary interaction parameters were validated using a topology of Gibbs energy of mixing surface analysis.

Section: Methodsmentioning

confidence: 99%

Measurement and Thermodynamic Modeling of Liquid–Liquid Equilibrium Data for Ternary Systems (Water + Formaldehyde + Methyl Isobutyl Ketone/Cyclohexanone) at Different Temperatures

Fan

et al. 2022

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“…The solvent power (SP i ) and selectivity (β s ) were calculated by γ ∞ . The calculation formulas of SP i and β s are as follows where γ B,s ∞ and γ A,s ∞ denote the infinite dilution activity coefficients of n -hexane and methanol in the solvent, respectively.…”

Section: Solvent Screeningmentioning

confidence: 99%

“…Although some ionic liquids and deep eutectic solvents show good extraction ability for methanol in saturated alkanes, they lack some industrial application value compared with organic solvents. 31 Therefore, it is necessary to select an appropriate solvent in the separation process of saturated alkanes and methanol and analyze the extraction effect of the solvent on methanol.…”

Section: Introductionmentioning

confidence: 99%

“…Rastegar et al explored the LLE composition of iso-octane + methanol + water ternary mixture at 293.2 K and estimated the binary interaction parameters based on the experimental equilibrium composition. Although some ionic liquids and deep eutectic solvents show good extraction ability for methanol in saturated alkanes, they lack some industrial application value compared with organic solvents . Therefore, it is necessary to select an appropriate solvent in the separation process of saturated alkanes and methanol and analyze the extraction effect of the solvent on methanol.…”

Section: Introductionmentioning

confidence: 99%

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Study of Methanol Extraction from Saturated Alkanes: Solvent Screening, Liquid–Liquid Equilibrium Measurement, and Thermodynamic Simulation

Zhang,

Yan,

Niu

et al. 2023

In the process of CO2 catalytic hydrogenation to methanol, saturated alkanes will be produced, and the purity of refined methanol will be reduced. Therefore, the separation of methanol from saturated alkanes is very important. The separation of methanol and saturated alkanes was studied in this work. The suitable solvent was screened by σ-profile analysis, interaction energy analysis, and extraction performance analysis. Finally, ethylene glycol was selected as the suitable solvent for the separation of methanol from saturated alkanes. The liquid–liquid equilibrium (LLE) data of {n-hexane, n-heptane, iso-octane, and n-nonane} + methanol + ethylene glycol were measured at 303.2 K and 101.3 kPa, respectively. The extraction performance of ethylene glycol was evaluated by distribution constant (D) and separation factor (S). In the meantime, LLE data were regressed using the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) models to obtain the regression parameter values. The root-mean-square deviation (RMSD) of the NRTL and UNIQUAC models were less than 0.0047 and 0.0044, respectively.

“…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

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.