Model supported analysis and synthesis of a new process for continuous separation of enantiomers

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The provision of enantiopure products poses a significant challenge for the pharmaceutical industry and biotechnology. Among the techniques applicable to difficult enantioseparations, selective crystallization techniques are particularly attractive. So far, primarily batch processes are used and there are few systematic approaches to the rational development of continuous enantioselective crystallization processes. With this project a process is studied, which enables continuous enantioselective crystallization. Each of the enantiomers is preferably crystallized into one of two conically shaped tubular fluidized bed crystallizers. For an optimal use of the driving force the two crystallizers are coupled via the fluid phase. First successful experiments carried out demonstrated the feasibility of the process. For the quantitative evaluation of the complex overall multi-step process (mixing, growth, nucleation, solid-liquid separation, comminution), mathematical models with different levels of detail have been developed and a theoretical analysis has been done. CFD-DEM-models were used and reduced models were developed. Theoretical process analysis has been performed for different substances. In order to simulate the whole process both CFD-DEM and reduced model simulations have been performed. The developed detailed and reduced models will be applied and evaluated in the third phase of this project in order to identify substance-dependent optimal geometries of the crystallizer. The validated models and the experiences acquired will be shared with other working groups participating in the DFG priority program.