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.

微观和纳米范围内的颗粒和聚集体结构是分析技术以及化学、生物技术和制药工业中无数产品的基础。由颗粒组成的定义多孔系统用于，例如，色谱纯化，催化应用（例如，用于储能或催化活化反应）以及作为活性药物成分的定义释放的载体系统。各自应用的多孔体系的产品特性不仅取决于物质本身的特性，而且在很大程度上取决于底层的颗粒或聚集体结构。除了纳米和微粒构建块的材料和表面特性外，随后的工艺步骤，如配方、加工和干燥，对结构的形成和相关的技术应用特性具有决定性的影响。问题是，这种聚合系统如何能够而且必须为各种应用构建结构，例如，确保最佳的质量运输，同时表现出确定的机械稳定性。在以前的项目中，通过喷雾干燥从纳米颗粒悬浮液中生产和研究了各种骨料系统。在本项目中，将建立CFD-DEM模拟，揭示颗粒尺度上的结构形成机制，并充分描述由此产生的聚集体微观结构，特别是WG Schilde在第一干燥阶段分层结构的形成。同时，基于连续物种迁移模型的建模方法将由WG Levy进一步发展。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。来自CFD-DEM模拟的知识将支持模型开发，既可以从颗粒尺度上的信息中受益，又可以保持较低的计算成本。这样可以有效地研究不同工艺和配方条件对产品的影响。最终，这些模型应该能够优化过程和预测喷雾干燥过程中的结构形成。