Aggregate Structure Evolution for Size-Dependent Aggregation by Means of Monte Carlo Simulations
Aggregate Structure Evolution for Size-Dependent Aggregation by Means of Monte Carlo Simulations
复制标题
通过蒙特卡罗模拟实现尺寸相关聚集的聚集结构演化
DOI：
10.14356/kona.2007016
复制
发表时间：
2007
影响因子：
4.1
通讯作者：
H. Briesen
中科院分区：
文献类型：
--
作者：
H. Briesen
结晶和沉淀过程中的聚集往往会导致复杂形状的颗粒聚集体。作为低维确定性种群平衡模型的替代方案，可以使用随机或所谓的蒙特卡罗方法，其中必须对颗粒形状做出假设。在以前的工作中，已经提出了聚集体的分层表征(Briesen，AIChE J.，52,2436-2446,2006)，它允许使用不同级别的细节来模拟不同的速率过程，如初级颗粒生长或颗粒聚集。有了这种分级表征，聚集体的详细几何形状就可以用于评级过程建模和产品表征。在这里，这个框架被扩展到研究依赖于大小的冲突率和聚集效率。结果表明，剪切速率和颗粒颈部生长速率的相互作用可以从机理上模拟骨料的结构。未来的工作将与实验数据和可选的模型进行比较。
Aggregation during crystallization and precipitation processes often leads to complex-shaped particle aggregates. As an alternative to low-dimensional deterministic population balance models, where assumptions on the particle shape must be made, stochastic or so-called Monte Carlo methods can be employed. In previous work a hierarchical characterization of aggregates has been proposed (Briesen, AIChE J., 52, 2436-2446, 2006), which allows the use of different levels of detail for modelling the different rate processes as primary particle growth or particle aggregation. With that hierarchical characterization, the detailed geometry of aggregates becomes accessible for rate process modelling and product characterization. Here, this framework is extended to investigate size-dependent collision rates and aggregation ef ficiencies. The results show that the aggregate structures can be modelled by the interplay of shear rate and the growth rate at the particle necks in a mechanistic way. Future work will address the comparison with experimental data and alternative model formu-