abstract
Six biphasic systems containing heptane, ethanol, and either hydrogen bond donor compounds (HBD), glycerol, ethylene glycol, levulinic acid, or the corresponding choline chloride-based DES were studied as potential extracting systems for five natural compounds, namely, quercetin, apigenin, coumarin, beta-ionone, and a-tocopherol. Phase diagrams for all biphasic systems are reported. It appears that the polarity of the HBD is the most relevant property driving the phase separation and that choline chloride has only a minor influence on the phase diagram. Measurements of the partition coefficients for the five natural compounds mentioned above reveal that the influence of choline chloride on the partition coefficient of a natural compound is only significant when the latter is present in both phases. Finally, binodal curves and partition coefficients were calculated using a conductor-like screening model for real solvents (COSMO-RS). Calculated and experimental results are in good agreement, confirming that COSMO-RS is a useful and promising tool for screening such complex biphasic systems to find the most adequate system for purifying specific natural compounds.
keywords
ISOTHERMAL FLASH PROBLEM; COSMO-RS; CHOLINE CHLORIDE; MODEL; SEPARATION; MIXTURES
subject category
Chemistry, Multidisciplinary; Green & Sustainable Science & Technology; Engineering, Chemical
authors
Chagnoleau, JB; Papaiconomou, N; Jamali, M; Abranches, DO; Coutinho, JAP; Fernandez, X; Michel, T
our authors
Dinis O. Abranches
Assistant Researcher
Groups
G4 - Renewable Materials and Circular Economy
G6 - Virtual Materials and Artificial Intelligence
acknowledgements
This work was partly developed within the scope of the project CICECO-Aveiro Institute of Materials, UIDB/50011/2020 & UIDP/50011/2020 financed by national funds through the FCT/MEC, and when appropriate, co-financed by FEDER under the PT2020 Partnership Agreement. This work has also been supported by the French government through the UCAJEDI investments managed by the National Research Agency (ANR) with the reference number ANR-15-IDEX-01. Finally, this work was supported by the University Cote d'Azur through project NARCOS funded by its CSI program.