Modelling of hierarchical structure formation during spray drying via CFD-DEM coupling and continuous species transport

通过 CFD-DEM 耦合和连续物质传输对喷雾干燥过程中的分层结构形成进行建模

• 批准号: 531645339
• 负责人: Professor Dr.-Ing. Carsten Schilde
• 金额: --
• 依托单位: Institut für Partikeltechnik
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/531645339?language=en
• 关键词: Modelling; hierarchical; structure; formation; during

Particle and aggregate structures in the micro- and nanometer range are the basis of countless products in analytical technology as well as in the chemical, biotechnological and pharmaceutical industries. Defined porous systems composed of particles are used, for example, in chromatographic purification, in catalytic applications (e.g. for energy storage or catalytically activated reactions) and as carrier systems for the defined release of active pharmaceutical ingredients. The product properties of porous systems for the respective application depend not only on the substance properties themselves, but also to a large extent on the underlying particle or aggregate structure. In addition to the material and surface properties of the nano- and microparticle building blocks, the subsequent process steps such as formulation, processing and drying have a decisive influence on the structure formation and the associated technical application properties. The question arises as to how such aggregate systems can and must be structured for the various applications in order, for example, to ensure optimum mass transport and at the same time exhibit defined mechanical stability. In previous projects, various aggregate systems have been produced and investigated by spray drying from nanoparticulate suspensions. In this project, CFD-DEM simulations will be established to reveal the structure forming mechanisms at the particle scale and to fully describe the resulting aggregate microstructure, in particular the formation of hierarchical structures in the first drying stage by WG Schilde. In parallel, a modelling approach based on a continuous species transport model will be further developed by WG Levy. For that, the consideration of multiple particle sizes and particle interactions in both the first and second drying stages is planned. Knowledge from the CFD-DEM simulations will support the model development to benefit both from their information on particle scale while keeping the computational cost low. This will allow the influence of different process and formulation conditions on the product to be investigated efficiently. Ultimately, the models should enable process optimization and prediction of structure formation during spray drying.

微米和纳米范围内的颗粒和聚集体结构是分析技术以及化学、生物技术和制药行业无数产品的基础。由颗粒组成的限定多孔系统可用于例如色谱纯化、催化应用（例如用于能量储存或催化激活反应）以及作为活性药物成分限定释放的载体系统。各个应用的多孔系统的产品特性不仅取决于物质特性本身，而且在很大程度上取决于底层颗粒或聚集体结构。除了纳米和微米颗粒构件的材料和表面特性外，后续工艺步骤（例如配方、加工和干燥）对结构形成和相关技术应用特性具有决定性影响。出现的问题是这样的骨料系统如何能够并且必须针对各种应用进行构建，例如，以确保最佳的质量传输，同时表现出确定的机械稳定性。在之前的项目中，已经通过纳米颗粒悬浮液的喷雾干燥生产和研究了各种骨料系统。在该项目中，将建立 CFD-DEM 模拟，以揭示颗粒尺度的结构形成机制，并充分描述所得骨料微观结构，特别是 WG Schilde 在第一个干燥阶段的分层结构的形成。与此同时，WG Levy 将进一步开发基于连续物种迁移模型的建模方法。为此，计划在第一和第二干燥阶段考虑多种粒径和颗粒相互作用。 CFD-DEM 模拟中的知识将支持模型开发，以便从粒子尺度信息中受益，同时保持较低的计算成本。这将有助于有效研究不同工艺和配方条件对产品的影响。最终，该模型应该能够优化工艺并预测喷雾干燥过程中的结构形成。