Mohammad, S. and Grundl, G. and Mueller, Rainer and Kunz, W. and Sadowski, G. and Held, C. (2016) Influence of electrolytes on liquid-liquid equilibria of water/1-butanol and on the partitioning of 5-hydroxymethylfurfural in water/1-butanol. FLUID PHASE EQUILIBRIA, 428. pp. 102-111. ISSN 0378-3812, 1879-0224
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The influence of electrolytes on liquid-liquid equilibria (LLE) of water/1-butanol and on the partitioning of 5-hydroxymethylfurfural (HMF) between water-rich and 1-butanol-rich phases was investigated in this study. For that purpose, the LLE of the ternary systems water/1-butanol/HMF, water/1-butanol/salt, and the LLE of the quaternary system water/1-butanol/HMF/salt were measured at 298.15 K under atmospheric pressure. The investigated salts were composed of one of the anions Cl-, CH3COO-, NO3- and SO42- and either Li+ or Na+. By investigating the LLE of the system water/1-butanol/salt it was found that 1-butanol was salted-out from the aqueous phase by all salts, and the strength of the salting-out increased in the following order NO3- < CH3COO- approximate to Cl- < SO42-, independently of the cation. Based on the LLE data, the partition coefficient K-HMF(W) of HMF between 1-butanol and aqueous phase was determined. Li2SO4 caused a pronounced salting-out of HMF from the aqueous phase, whereas only a moderate influence was observed for NaCl and CH3COONa. LiCl even caused a salting-in at LiCl molalities above 6 mol/kg(H2O) electrolyte Perturbed-Chain Statistical Associating Fluid Theory (ePC-SAFT) was successfully used to model the influence of salts on the LLE water/1-butanol. Without fitting parameters to LLE data of the quaternary system water/1-butanol/HMF/salt, ePC-SAFT allowed predicting the salt influence on the partitioning of HMF in these systems in good agreement with the experimental data. (C) 2016 Elsevier B.V. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ASSOCIATING FLUID THEORY; SODIUM-CHLORIDE SYSTEM; PERTURBED-CHAIN SAFT; EQUATION-OF-STATE; PLUS 1-BUTANOL; VARIABLE RANGE; PHASE-BEHAVIOR; SALT SOLUTIONS; NRTL MODEL; WATER; HMF; LLE; Salt; ePC-SAFT; Salting-out; Extraction; Prediction; Modeling |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 12 Apr 2019 08:00 |
| Last Modified: | 12 Apr 2019 08:00 |
| URI: | https://pred.uni-regensburg.de/id/eprint/3933 |
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