Liquid-liquid equilibrium for methyl butyl ketone + o-, m-, p-cresol + water ternary systems and COSMO-SAC predictions. (December 2018)

• Record Type: Journal Article
• Authors: Zhou, Shaoming; Xiong, Kangning; Li, Libo; Chen, Yun
• Is Part Of: Journal of chemical thermodynamics. Volume 127(2018)
• Page Start: 17
• Page End: 24
• Publication Date: 2018-12
• Subjects: Liquid-liquid equilibrium -- MBK -- Cresol -- Thermodynamic models -- COSMO-SAC; Thermodynamics -- Periodicals; Thermochemistry -- Periodicals; Thermodynamique -- Périodiques; Thermochimie -- Périodiques; Thermochemistry; Thermodynamics; Periodicals; 541.369
• DOI: 10.1016/j.jct.2018.07.014
• Languages: English
• ISSNs: 0021-9614

Abstract

Highlights: LLE data for MBK-cresols-water ternary systems were measured from 333.2 K to 353.2 K. Excellent agreement between experimental data and predictions from NRTL and UNIQUAC. Ternary phase diagrams could be predicted by the COSMO-SAC model. Abstract: The liquid–liquid equilibrium (LLE) data for the three ternary systems, methyl butyl ketone (MBK) + o -, m -, p -cresol + water, were measured at 333.2 K and 353.2 K under 101 kPa in this work. Distribution coefficient and selectivity for cresols were calculated from the experimental tie-line data to evaluate the performance of MBK extracting cresols from the aqueous solution. The experimental tie-line data were correlated by the NRTL and UNIQUAC activity coefficient models, and both models showed good agreement with the experimental data. The COSMO-SAC model (conductor-like screening model for segment activity coefficient) was employed to predict LLE phase diagrams for the studied systems with root mean square deviations less than 3%.