Liquid–Liquid Equilibrium for the Ternary Systems Methyl tert-Butyl Ketone + o-, m-, p-Cresol + Water at (298.2, 313.2, and 323.2) K

Zhou, Shaoming; Ming-yang, Liao; Liu, Dong; Li, Libo; Chen, Yun

doi:10.1021/acs.jced.6b00825

Cited by 11 publications

(7 citation statements)

References 24 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Liquid–liquid equilibrium (LLE) data of ternary and binary systems were usually correlated using nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) activity coefficient models in order to determine the binary interaction parameters used in process simulation. There are many available references reporting the results of solubility measurements in aqueous solutions since accurate solubility data are important for product and process design. − Many organic solvents have been reported to extract methylphenol from wastewater including ketones, − ethers, − aliphatic hydrocarbons, and aromatic hydrocarbons . However, most of those references focused on temperatures below 323.15 K. Methyl tert -butyl ketone (MTBK) showed good physicochemical properties such as relatively low boiling point, little solubility in water, and high partition coefficient and selectivity for the treatment of phenolic wastewater, ,, which are a benefit for the extraction and solvents recovery process.…”

Section: Introductionmentioning

confidence: 99%

“…There are many available references reporting the results of solubility measurements in aqueous solutions since accurate solubility data are important for product and process design. − Many organic solvents have been reported to extract methylphenol from wastewater including ketones, − ethers, − aliphatic hydrocarbons, and aromatic hydrocarbons . However, most of those references focused on temperatures below 323.15 K. Methyl tert -butyl ketone (MTBK) showed good physicochemical properties such as relatively low boiling point, little solubility in water, and high partition coefficient and selectivity for the treatment of phenolic wastewater, ,, which are a benefit for the extraction and solvents recovery process. In this study, the liquid–liquid equilibrium data for the ternary systems of water + methylphenols + MTBK were determined at 333.2 K and 353.2 K under air pressure, for which the LLE data have not been reported so far.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Phase Equilibrium on Extraction Methylphenols from Aqueous Solution with 3,3-Dimethyl-2-butanone at 333.2 K and 353.2 K

et al. 2018

Self Cite

View full text Add to dashboard Cite

The phenols recovery process is a significant part of treating coal chemical wastewater with highly concentrated phenols and ammonia. Solvent extraction is an important unit for phenol recovery section. The accurate measurement of liquid−liquid equilibrium (LLE) data is essential for realizing partitioning. In this paper, the LLE data for the ternary system water + 2-, 3-, 4-methylphenol +3,3-dimethyl-2-butanone (also known as methyl tert-butyl ketone, MTBK) were studied at the temperatures of 333.2 K and 353.2 K under 101.3 kPa. The extraction performance of MTBK was estimated by partition coefficients and separation factors. The extraction efficiencies of MTBK were compared with those of MIBK, mesityl oxide, and those results of MTBK at five different temperatures from 298.2 K to 353.2 K were also contrasted with each other. In addition, the nonrandom two-liquid (NRTL) and universal quasi chemical (UNIQUAC) models were applied to fit the measured LLE data. The results indicate that the calculated data based on the NRTL and UNIQUAC equations are good as reported by the experimental data, and the root-mean-square error (RMSE) values are lower than 2.50%. The obtained binary interaction parameters in this study can be used in the calculation of the LLE about the ternary system (water + 2-, 3-, 4-methylphenol + MTBK) as well as for the design and optimization of industrial process to remove methylphenols from effluents.

show abstract

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Phase Equilibrium on Extraction Methylphenols from Aqueous Solution with 3,3-Dimethyl-2-butanone at 333.2 K and 353.2 K

et al. 2018

Self Cite

View full text Add to dashboard Cite

show abstract

“…The correct selection and use of the thermodynamic model determine the accuracy and reliability of the flow calculation. Typically, the NRTL and UNIQUAC models are used to correlate LLE data. − The objective function calculated in the process of regression simulation is where w cal is the calculated mass fraction of the component, and w exp is the experimental mass fraction of the component. The subscript k denotes the connecting line, j denotes the phase, i denotes the composition, and M denotes the total number of connecting lines (Table ).…”

Section: Results and Discussion Of Experiments And Simulationmentioning

confidence: 99%

Separation of Water and 3-Mercaptopropionic Acid Using Four Solvents: Liquid–Liquid Equilibrium Measurements, Thermodynamic Simulations, and Quantum Chemical Calculations

Zhang,

Yan,

Wang

et al. 2023

J. Chem. Eng. Data

View full text Add to dashboard Cite

Water is produced during the industrial production of 3-mercaptopropionic acid; so to separate and purify 3-mercaptopropionic acid, four common solvents {n-octanol, isopropyl acetate, methyl isopropyl ketone, and diisopropyl ether} were chosen to separate water and 3-mercaptopropionic acid. The liquid−liquid equilibrium (LLE) data of water +3mercaptopropionic acid + {n-octanol, isopropyl acetate, methyl isopropyl ketone, and diisopropyl ether} were measured at 303.2 K and 101.3 kPa. The distribution coefficient (D) and separation factor (S) were calculated to compare the extraction performance of the four solvents. Next, the NRTL and UNIQUAC models were used to regress the experimental data and the relevant regression parameters were obtained. The root-mean-square deviation (RMSD) of the NRTL and UNIQUAC models are less than 0.0057 and 0.0056, respectively, indicating that the two models are suitable for this system. The reliability of the binary interaction parameters was demonstrated by hybrid surface analysis of the Gibbs energy topology. Finally, the surface electrostatic potential distribution of the extractant and 3mercaptopropionic acid was analyzed, the interaction energy between 3-mercaptopropionic acid and extractant was calculated by the quantum chemical method, and the difference in extraction performance of four extractants was analyzed.

show abstract

“…Typically, the NRTL model and the UNIQUAC model are used to correlate LLE data. − The structural parameters ( r and q ) of the UNIQUAC model can be found in the Aspen Plus V8.4. The objective function in regression calculation is as follows: where w cal is the calculated mass fraction of the component and w exp is the experimental mass fraction of the component.…”

Section: Results and Discussion Of Experiments And Simulationmentioning

confidence: 99%

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

Zhang,

Yan,

Niu

et al. 2023

J. Chem. Eng. Data

View full text Add to dashboard Cite

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.

show abstract

Liquid–Liquid Equilibrium for the Ternary Systems Methyl tert-Butyl Ketone + o-, m-, p-Cresol + Water at (298.2, 313.2, and 323.2) K

Cited by 11 publications

References 24 publications

Phase Equilibrium on Extraction Methylphenols from Aqueous Solution with 3,3-Dimethyl-2-butanone at 333.2 K and 353.2 K

Phase Equilibrium on Extraction Methylphenols from Aqueous Solution with 3,3-Dimethyl-2-butanone at 333.2 K and 353.2 K

Separation of Water and 3-Mercaptopropionic Acid Using Four Solvents: Liquid–Liquid Equilibrium Measurements, Thermodynamic Simulations, and Quantum Chemical Calculations

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

Contact Info

Product

Resources

About