Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/16206
Title: A systematic approach for preferential crystallization - Thermodynamics, kinetics, optimal operation and in-situ monitoring
Authors: WANG XIUJUAN
Keywords: Preferential crystallization; Metastable zone; 4-hydroxy-2-pyrrolidone; Chiral characterization; Kinetics; Optimal operation
Issue Date: 3-Apr-2007
Source: WANG XIUJUAN (2007-04-03). A systematic approach for preferential crystallization - Thermodynamics, kinetics, optimal operation and in-situ monitoring. ScholarBank@NUS Repository.
Abstract: A systematic approach has been developed and applied to preferential crystallization of chiral molecules by integration of system thermodynamics, crystallization kinetics, optimal operation and in-situ monitoring. Three types of racemate crystals were identified with thermal analysis and structural characterizations. Their metastable zone widths in solution were found as an additional characteristic to identify racemic species. Primary nucleation order variations with enantiomeric excess suggested there exists a critical supersaturation beyond which the nucleation of opposite isomer could occur. A dynamic method was developed and used to measure the crystallization kinetics of 4-hydroxy-2-pyrrolidone in isopropanol. With combination of thermodynamics and crystallization kinetics, a detailed mathematical modelling was established to predict the operation strategy. The producta??s optical purity, crystal morphology and in-situ observations, all suggested that the critical supersaturation control was essential and the systematic approach was successful and applicable for preferential crystallization. This approach was also extended to a racemic compound.
URI: http://scholarbank.nus.edu.sg/handle/10635/16206
Appears in Collections:Ph.D Theses (Open)

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