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

模型支持分析和合成对映体连续分离新工艺

• 批准号: 238771797
• 负责人: Professor Dr.-Ing. Gábor Janiga
• 金额: --
• 依托单位: Max-Planck-Institut für Dynamik komplexer technischer Systeme
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2013
• 资助国家: 德国
• 起止时间: 2012-12-31 至 2019-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/238771797?language=en
• 关键词: Model; supported; analysis; synthesis; new

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.

提供对映体纯产品对制药业和生物技术构成了重大挑战。在适用于困难的对映体分离的技术中，选择性结晶技术特别有吸引力。到目前为止，主要采用间歇工艺，很少有系统的方法来合理开发连续对映体选择性结晶工艺。本项目研究了一种能够实现连续对映选择性结晶的工艺。每种对映异构体优选在两个圆锥形管状流化床结晶器之一中结晶。为了最佳地利用驱动力，两个结晶器通过流体相连接。首次成功的实验证明了该工艺的可行性。为了对复杂的整体多步骤过程（混合、生长、成核、固液分离、粉碎）进行定量评估，开发了具有不同细节水平的数学模型并进行了理论分析。采用CFD-DEM模型，并开发了简化模型。对不同的物质进行了理论过程分析。为了模拟整个过程CFD-DEM和简化模型模拟已经进行。开发的详细和简化模型将在该项目的第三阶段应用和评估，以确定结晶器的物质依赖的最佳几何形状。经过验证的模型和获得的经验将与参与DFG优先计划的其他工作组共享。