Abstract

One of the main goals of polymer science has been to relate the process variable to their vital macroscopic properties in order to obtain tailor-made products. In particular, this goal is significant when we have to use a catalyst that has a unique and unknown behavior with its own complex kinetics such as a Ziegler–Natta catalyst for polypropylene production. Today, computer simulation with acceptable accuracy has come to the aid of polymer science. The final product properties are highly dependent on the crucial factors comprising the average molecular weight, its dispersity, and bulk density of a polymer, and these factors also depend on process variables with the complexity of a kinetic reaction. A mathematical model can be a worthy replacement to the conventional manner, experiment by trial and error, for designing a favorite product. In this study, a mathematical model is proposed to fulfill this aim. By the model with its offered algorithm, kinetic constants can be easily adjusted with fairly good prediction of the desired product. The modeling approach is a polymer moment balance technique (population balance) in a slurry semibatch reactor and coded in MATLAB/SIMULINK software. The model has been validated via experimental data from a laboratory scale reactor with an acceptable margin of error.

中文翻译：

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通过验证的数学模型预测聚丙烯反应器中的分子量分布，熔体流动指数和堆积密度

摘要

聚合物科学的主要目标之一是将过程变量与其重要的宏观性能相关联，以获得量身定制的产品。特别是，当我们必须使用具有独特和未知行为且具有自身复杂动力学的催化剂（例如用于聚丙烯生产的Ziegler-Natta催化剂）时，这一目标意义重大。如今，以可接受的精度进行计算机模拟已帮助聚合物科学发展。最终产品的性能高度取决于关键因素，包括平均分子量，其分散度和聚合物的堆积密度，这些因素还取决于工艺变量以及动力学反应的复杂性。数学模型可以替代传统方式，通过反复试验进行实验，以设计出自己喜欢的产品。在这项研究中，提出了一个数学模型来实现这一目标。通过具有提供的算法的模型，可以很容易地对运动常数进行调整，并且可以很好地预测所需的产品。该建模方法是淤浆半间歇反应器中的聚合物矩平衡技术（种群平衡），并在MATLAB / SIMULINK软件中进行了编码。该模型已通过实验室规模的反应器的实验数据进行了验证，误差范围在可接受范围内。