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Enantioselective Crystallization Exploiting the Shift of Eutectic Compositions in Solid‐Liquid Phase Diagrams
Author(s) -
Le Minh T.,
Lorenz H.,
SeidelMorgenstern A.
Publication year - 2012
Publication title -
chemical engineering and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.403
H-Index - 81
eISSN - 1521-4125
pISSN - 0930-7516
DOI - 10.1002/ceat.201100689
Subject(s) - non random two liquid model , eutectic system , solubility , phase diagram , ternary operation , thermodynamics , crystallization , saturation (graph theory) , chemistry , ternary numeral system , enantiomer , phase (matter) , materials science , chromatography , activity coefficient , organic chemistry , aqueous solution , alloy , combinatorics , computer science , programming language , physics , mathematics
Ternary solubility data of the chiral 3‐chloromandelic acid (3ClMA) system are estimated for different solvents from binary solubility data using the non‐random two‐liquid (NRTL) model and compared to experimental data. The parameters of the NRTL model are determined by minimizing an objective function based on the difference between experimental and calculated temperatures corresponding to saturation concentrations. The results reveal that, for this system, the heterochiral interactions between the enantiomers can be considered as ideal in a wide temperature range. The ternary solubility phase diagrams are also described well by the NRTL model and predict eutectic compositions close to the enantiomer axes. Based on known ternary phase diagrams, enantiomer purification is performed experimentally, exploiting the identified shift of the characteristic eutectic compositions in the ternary phase diagram of chiral 3ClMA in different solvents.