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Shortcut Model for Batch Preferential Crystallization Coupled with Racemization for Conglomerate-Forming Chiral

Shashank Bhandari1, Thiane Carneiro1, Heike Lorenz1

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Summary

This study enhances preferential crystallization (PC) by integrating racemization and recycling, overcoming the 50% yield limit for enantiomer separation. Optimized batch operations maximize productivity by determining the ideal crystallization stop time.

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Area of Science:

  • Chemical Engineering
  • Crystallization Science
  • Chiral Separations

Background:

  • Preferential crystallization (PC) is a method for separating enantiomers in conglomerate systems.
  • Current PC methods are limited to a 50% yield, hindering the recovery of valuable counter-enantiomers.
  • Shortcut models (SCM) exist but require parameter estimation from limited data.

Purpose of the Study:

  • To overcome the 50% yield limitation in preferential crystallization.
  • To integrate racemization and recycling steps with PC for enhanced enantiomer recovery.
  • To extend the SCM of PC to include kinetic models for racemization reactions.

Main Methods:

  • Coupling preferential crystallization with racemization and recycling.
  • Extending the shortcut model (SCM) of PC with a kinetic model for enzymatic racemization.
  • Utilizing model parameters for asparagine monohydrate resolution and amino acid racemase kinetics.

Main Results:

  • Demonstrated various process integration strategies for PC, racemization, and recycling.
  • Developed an extended SCM for unified quantification of different process options.
  • Highlighted the critical importance of optimal batch stop times for maximizing process productivity.

Conclusions:

  • The integration of racemization and recycling effectively overcomes the yield limitations of traditional PC.
  • The extended SCM provides a generalized design concept for improved chiral separations.
  • Optimizing batch operation parameters, particularly the stop time, is crucial for achieving high productivity in enantiomer resolution.