A framework based on the Monte Carlo/random‐pore polymeric flow model is proposed to simulate both single‐particle and continuous slurry reactor industrial polymerizations. The Sanchez–Lacombe equation of state describes the distributions of components in the different phases of these systems. The developed process model is applied to describe heterogeneously catalyzed polymerizations of ethylene in n‐hexane diluent with or without 1‐hexene as a comonomer, but the proposed methodology is applicable to any ethylene/1‐olefin copolymerization in slurry reactors. In addition to the effects of catalyst particle size and reactor residence time distributions, the proposed hybrid model is used to investigate the impact of several catalyst characteristics under different process conditions on polymer yield and microstructure. Particular attention is paid to the catalyst fragmentation process and active center distribution through the particle. These simulations demonstrate the versatility and thoroughness of combining Monte Carlo simulation with single‐particle models to analyze and predict the behavior of commercial polyolefin reactors.

中文翻译：

---

开发用于聚乙烯生产的工业浆相反应器多尺度，多相建模的集成框架

提出了一个基于蒙特卡洛/无孔聚合物流模型的框架，以模拟单颗粒和连续淤浆反应器工业聚合。Sanchez-Lacombe状态方程描述了这些系统不同阶段中组件的分布。所开发的过程模型用于描述乙烯在n中的多相催化聚合己烷稀释剂，带有或不带有1-己烯作为共聚单体，但建议的方法适用于淤浆反应器中的任何乙烯/ 1-烯烃共聚。除了催化剂粒径和反应器停留时间分布的影响外，所提出的混合模型还用于研究不同工艺条件下几种催化剂特性对聚合物收率和微观结构的影响。特别注意催化剂的裂解过程和整个颗粒的活性中心分布。这些模拟证明了将蒙特卡洛模拟与单颗粒模型相结合以分析和预测商用聚烯烃反应器性能的多功能性和彻底性。