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首页> 外文期刊>Macromolecular reaction engineering >Modeling of Polyolefin Polymerization in Semibatch Slurry Reactors: Experiments and Simulations
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Modeling of Polyolefin Polymerization in Semibatch Slurry Reactors: Experiments and Simulations

机译：半间歇式淤浆反应器中聚烯烃聚合的建模：实验和模拟

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摘要

In this work, a well-known single-particle model (the multigrain model) is applied to simulate size growth and morphology evolution of polyethylene particles obtained through a slurry phase, catalytic polymerization in semibatch reactor. The model explicitly accounts for diffusion limitations within the polymer particle and between the particle and the solvent, as well as void fraction variations due to the particle growth. Catalyst behavior is described assuming a two-site model, a good compromise between accuracy and simplicity, along with a conventional kinetic scheme, whose kinetic parameters are determined by fitting the model predictions to the experimental data. Polymer molecular weight is evaluated from population balances, solved through the method of moments. The semibatch reactor is modeled by means of fundamental mass conservation equations. Simulations show that the proposed model is able to describe not only the polymer properties of interest but also the evolution of the average particle size, thus providing a comprehensive overview of the system behavior. The model is further validated through regression-free simulation of additional sets of experimental data, including materials with a bimodal molar mass distribution: the good agreement also found in this case confirms the robustness of the model and the estimated parameter values.
机译：在这项工作中，使用了众所周知的单颗粒模型（多颗粒模型）来模拟通过淤浆相，在半间歇反应器中进行催化聚合而获得的聚乙烯颗粒的尺寸增长和形态演变。该模型明确考虑了聚合物颗粒内部以及颗粒与溶剂之间的扩散限制，以及由于颗粒生长而导致的空隙率变化。描述的催化剂行为假设为两点模型，在准确性和简便性之间取得了良好的折衷，同时还采用了常规的动力学方案，其动力学参数是通过将模型预测值拟合到实验数据来确定的。聚合物分子量是根据种群平衡评估的，可以通过矩量法求解。半批量反应器通过基本质量守恒方程建模。仿真表明，提出的模型不仅能够描述目标聚合物的性能，而且能够描述平均粒径的变化，从而提供了系统行为的全面概述。该模型还通过对其他实验数据集（包括具有双峰摩尔质量分布的材料）进行无回归模拟而得到进一步验证：在这种情况下，还发现良好的一致性，证实了模型的稳健性和估计的参数值。

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