氯乙烯聚合反应动力学模型建立及求解  

Modeling and solution of the kinetic of vinyl chloride polymerization

作　　者：李德高[1] 杨霞[1] 魏其凡[1] 郑世清[1] 

机构地区：[1]青岛科技大学计算机与化工研究所,山东青岛266042

出　　处：《计算机与应用化学》2014年第3期321-324,共4页Computers and Applied Chemistry

摘　　要：目前聚氯乙烯(PVC)行业产能过剩,成本较高,需要开发新的工艺技术,促进PVC行业的健康发展。生产工艺中以氯乙烯的聚合为核心,因此建立简单准确的复合引发剂体系下聚合反应动力学模型对新技术的开发具有重要的意义。文中以单一引发剂动力学Xie模型为基础,结合复合引发剂分解动力学模型,建立复合引发剂体系下的氯乙烯(v℃M)悬浮聚合动力学模型。通过模型求解验证的方法,借助FORTRAN语言,采用龙格-库塔算法求解,模拟了在聚合温度57℃,复合引发剂过氧化新癸酸异丙苯酯(简称CNP)和过氧化辛癸酸叔丁酯(简称BNP)下的转化率数据。模拟数据与现场数据计算的转化率数据对比,吻合度较好,转化率达到85%的模拟值计算值是18000 s,与工业生产时间一致,表明该模型可靠性比较高,可用于工业生产操作参数的模拟与优化。Currently the industry of PVC need develop new technology to promote the healthy development with the problem overcapacity and higher costs. The Vinyl Chloride polymerization is the core technology of the entire process, so a simple and accurate kinetic model for Vinyl Chloride monomer （VCM） suspension polymerization is very important. Thus a comprehensive kinetic model for Vinyl Chloride monomer （VCM） suspension polymerization is developed based on single initiator model of Xie and decomposition dynamics of compound initiator. The model is solved by Runge-Kutta method using Fortran Language programming. The calculation results at 57 ℃, BNP and CNP are compared with the data collected from the industrial PVC production line, the conversion-time curve of vinyl chloride polymerization obtained by calculation data is in excellent agreement with by the industrial data, so the model is reliable and can be applied to the simulation and optimization of operation parameters of industrial plants.

关 键 词：聚氯乙烯 聚合动力学 模型 复合引发剂1001 

分 类 号：TQ015.9[化学工程] TP391.9[自动化与计算机技术—计算机应用技术]