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丙烯间歇液相本体聚合模拟
引用本文:胡晖,黄基才,颜文剑.丙烯间歇液相本体聚合模拟[J].计算机与应用化学,2012,29(2):127-131.
作者姓名:胡晖  黄基才  颜文剑
作者单位:1. 福州大学化学化工学院,福建,福州,350108
2. 翔鹭石化股份有限公司,福建,厦门,361026
基金项目:国家自然基金资助项目,福州大学人才基金
摘    要:从聚合反应动力学出发,对丙烯间歇液相本体聚合工业装置建立数学模型,采用PR状态方程进行汽液平衡计算。链增长速率常数k_p、链转移速率常数K_t由质均分子量为20万及30万2个品牌的生产条件及产品性质去拟合得到。应用拟合出的参数,对质均分子量为40万的产品的生产工艺条件进行模拟,模拟结果与实际相比为:聚合物的产量误差0.66%,质均分子量误差2.07%,模拟结果与实际较为吻合。并对反应过程中变量随时间变化情况进行分析,得出聚合物质量、氢气浓度、液相体积等随时间的变化规律,对实际生产工艺的开发与改进具有指导意义。

关 键 词:聚丙烯  间歇  PR方程  模拟

Simulation of batch liquid phase bulk polymerization of propylene
Hu Hui , Huang Jicai , Yan Wenjian.Simulation of batch liquid phase bulk polymerization of propylene[J].Computers and Applied Chemistry,2012,29(2):127-131.
Authors:Hu Hui  Huang Jicai  Yan Wenjian
Institution:1.College of Chemistry and Chemical Engineering,Fuzhou University,Fuzhou,350108,Fujian,China) (2.Xianglu Petrochemicals Co.,LTD,Xiamen,361026,Fujian,China)
Abstract:Based on the polymerization reaction kinetics,the mathematic model of industrial batch liquid phase bulk polymerization of propylene was developed and the gas-liquid equilibrium in the hydrogen-propylene system was calculated by the PR equation of state.The chain propagation and transfer rate constant were fitted from the production conditions and products properties of two brands whose average molecular weight were 2×10~5 and 3xl05 respectively.By using the fitted parameters,the productions condition of the product was simulated,molecular weight was 4×10~5.The deviations between modeling results and the plant data were small:the deviations of output and average molecular weight were 0.66%and 2.07% respectively.The results were nearly identical to the plant data.Besides,the changes of process variables with time were analyzed,such as the mass of polymer,the concentration of hydrogen and the volume of liquid,which had a guiding significance for practical production.
Keywords:propylene  batch  PR equation  simulation
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