Simulation for liquid phase bulk propylene polymerization in loop reactor by response surface methodology

SUI Shuhui; HONG Dingyi; HONG Dongfeng

doi:10.3969/j.issn.0438-1157.2014.z2.024

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Simulation for liquid phase bulk propylene polymerization in loop reactor by response surface methodology

更新时间：2025-12-10

- Simulation for liquid phase bulk propylene polymerization in loop reactor by response surface methodology
- CIESC Journal Issue z2, Pages: 162-168(2014)
- 作者机构：
  
  1. 北京理工大学材料学院,北京,100001
  2. 中国石油化工集团公司,北京,100029
- 作者简介：
- 基金信息：
- DOI：10.3969/j.issn.0438-1157.2014.z2.024
  CLC： Q325.1+4
- Online First：30 December 2014，
  
  Published：30 December 2014
- 稿件说明：
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SUI Shuhui, HONG Dingyi, HONG Dongfeng. Simulation for liquid phase bulk propylene polymerization in loop reactor by response surface methodology[J]. CIESC Journal, 2014, (z2): 162-168.
DOI：

SUI Shuhui, HONG Dingyi, HONG Dongfeng. Simulation for liquid phase bulk propylene polymerization in loop reactor by response surface methodology[J]. CIESC Journal, 2014, (z2): 162-168. DOI： 10.3969/j.issn.0438-1157.2014.z2.024.

摘要

采用响应曲面法(RSM)

利用Aspen Polymers Plus软件对环管工艺丙烯液相本体聚合过程进行了模拟。利用基于Newton-Raphson逐步逼近法对聚丙烯样品的GPC曲线进行解析

得到所用催化剂有5个活性中心;建立催化剂均匀球体模型并对其进行球积分

利用Monte Carlo随机模拟法

计算得到了聚合动力学参数;利用Box-Behnken Design方法进行实验设计

探讨了聚合温度、压力、丙烯质量流量、催化剂用量、氢气用量等主要因素对环管反应器出口聚丙烯(PP)分子质量的影响

建立了以环管反应器出口聚丙烯分子质量为响应函数的数学模型。利用模型计算出的聚丙烯相对分子质量为2.142×105

与实测值的误差为1.25%;利用数学模型和3D响应曲面趋势图

可以方便地调整装置操作

改进产品质量。

Abstract

According to the mechanism of propylene polymerization

the process simulation for liquid phase bulk propylene polymerization in loop reactor was carried out by using Polymers Plus of ASPEN with the method of response surface methodology(RSM). The method of Levenberg-Marguardt was used in the GPC (Gel Permeation Chromatography) curve deconvolution of the polypropylene sample to calculate the active sites of Ziegler-Natta catalyst. The result showed that the catalyst was characterized by assuming existence of five active sites. By using Monte Carlo method

the multi-site's dynamic data was gotten on the base of a new model in which the catalyst was assumed as uniform sphere and the integral was made. The individual and interactive effects of temperature

pressure

mass flow of catalyst

mass flow of propylene

and volume fraction of hydrogen on Mw of PP was investigated and a quadratic model was developed for the prediction of Mw of PP. The Mw predicted by quadratic model was 2.142×105 very close to the experimental data with the deviation of 1.25%. The quadratic model and 3D tendency curves can be used to optimize operation and to improve PP quality conveniently.

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