Modelling and Simulation of Multidimensional Fractionation in Fine Particle Systems and their Application

对于细颗粒系统，对于100 nm至10µm范围内的颗粒尺寸观察到分离间隙。在该过渡区域中，设备遭受降低的选择性和分离效率。为了能够改进现有的工厂和工艺，在该项目中，将通过数值模拟获得有关粒子动力学的新基础知识。它是基于以前的一个项目，其中任意形状的颗粒和分布的颗粒集体的沉降预测模型的开发。申请人专注于颗粒的形状，以便将诸如密度、尺寸、纵横比、球形度和凸度的参数与多维分离特性相关联。在这个项目中，重点是过程工程应用。为了这个目的，该模型被扩展，以便可以在真实的应用几何形状中进行真实粒子集体的模拟。的主要目标是阐明的多维相关性的形状和操作参数的过程规模，以提高选择性的大小范围内的分离间隙。一方面，颗粒必须通过依赖于角度的阻力系数进一步表征其在流中的动态特性。另一方面，统计研究必须扩展到真实的测量粒子系统。一个扩展也是考虑过程参数，如自旋数和外部施加的E-或B-场的场强。首先，形状和工艺参数的相关性确定在微观尺度上相对于颗粒动力学。由此导出了多分散颗粒集合体的成熟度性质以及阻力和扩散系数。然后，这些被纳入人口平衡模型的过程规模，这是通过耦合的Navier-Stokes方程和几个对流扩散方程。由此产生的模拟工具用于研究应用几何形状，如色谱柱，离心机和其他设备。在项目结束时，将提供知识和扩展模型以及用于预测多维分馏的模拟工具。通过关注应用几何形状，结果直接有助于改进过程工厂的设计。

For fine particle systems, a separation gap is observed for particle sizes in the range of 100nm to 10µm. In this transition region, facilities suffer from a lowered selectivity and separation efficiency. In order to be able to improve existing plants and processes, new fundamental knowledge on particle dynamics will be gained through numerical simulations in this project. It is based on a previous project in which a model for the prediction of sedimentation of arbitrarily shaped particles and distributed particle collectives was developed. The applicant focused on the shape of the particles in order to correlate parameters such as density, size, aspect ratio, sphericity and convexity to a multidimensional separation characteristic. In this project, the focus is on process engineering applications. For this purpose, the model is extended so that simulations of realistic particle collectives can be carried out in real application geometries. The main goal is the elucidation of multidimensional correlations of shape and operating parameters on the process scale to improve selectivity in the size range of the separation gap. On the one hand, particles have to be further characterized with respect to their dynamic properties in a flow by means of an angle-dependent resistance coefficient. On the other hand, statistical investigations have to be extended to real measured particle systems. An extension is also the consideration of process parameters, such as the spin number and field strengths of an externally applied E- or B-field. First, correlations of shape and process parameters are determined on a micro-scale with respect to particle dynamics. From this, maturity properties and finally resistance forces and diffusion coefficients for polydisperse particle collectives are derived. These are then incorporated into a population balance model for the process scale, which is described by coupling a Navier-Stokes equation and several advection-diffusion equations. The resulting simulation tool is used for investigations of application geometries such as chromatography columns, centrifuges and other equipment. At the end of the project, knowledge and an extended model as well as a simulation tool for the prediction of multidimensional fractionation will be available. By focusing on application geometries, the results contribute directly to improving the design of process plants.