工作(物理)
运动仿真
过程(计算)
聚乙烯
聚合
稳态(化学)
热力学
级联
聚合物
材料科学
状态方程
连续搅拌釜式反应器
分子动力学
摩尔质量分布
化学
计算机科学
模拟
物理
色谱法
物理化学
计算化学
复合材料
操作系统
作者
Shi‐Xiang Ruan,Xi‐Bao Zhang,Zheng‐Hong Luo
标识
DOI:10.1021/acs.iecr.2c00277
摘要
This work aims to perform steady-state and dynamic modeling of an industrial solution polyethylene process. The phase behaviors in reactors under various conditions were predicted by the reparametrized perturbed-chain statistical associating fluid theory equation of state (PC-SAFT EOS), and the broad molecular-weight distribution of the polymers was calculated by the traditional Ziegler–Natta polymerization kinetics. A cascade continuous stirred tank reactors model was adopted to simulate the real polymerization reactor, and the simulation results indicate that the accuracy of the simulated temperature distribution in industrial reactors can be improved by considering the effect of back-mixing. The effects of process variables on the performance at plant scale were investigated by the steady-state model. Furthermore, the dynamic model was applied to capture the dynamic behaviors during grade-transition procedures.
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