Abstract
With the perspective of finding alternative benign media for various applications, this paper presents a study of the physicochemical behavior of some members of the alkyl lactate family when expanded by CO2. Experimental and molecular modeling techniques have been used to determine and/or predict relevant physicochemical properties of these systems such as swelling, Kamlet–Taft parameters {polarity/polarizability (π*) and proticity or hydrogen-bond donator ability (α), dielectric constants and solubility parameters}. To complete the study of these properties, sigma profiles of the three lactates molecules have been obtained by performing quantum mechanical and phase equilibria calculations of CO2/alkyl lactate systems by using the Peng–Robinson equation of state.
Original language | English |
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Pages (from-to) | 259-280 |
Number of pages | 22 |
Journal | Journal of Solution Chemistry |
Volume | 46 |
Issue number | 2 |
DOIs | |
Publication status | Published - Feb 2017 |
Keywords
- CO2 expanded liquids
- Alkyl lactates
- Green solvents
- Green solvent engineering