二氧化碳环氧丙烷共聚过程的计算机模拟  

COMPUTER SIMULATION FOR CO_2PROPYLENE OXIDECOPOLYMERIZATION PROCESS

作　　者：陈立班[1] 杨淑英[1] 何树杰[1] 张文君 林欣欣[1] 余爱芳[1] 林伟生 

机构地区：[1]中国科学院广州化学研究所

出　　处：《高分子材料科学与工程》1998年第3期1-4,共4页Polymer Materials Science & Engineering

基　　金：国家自然科学基金

摘　　要：给出由投料情况估算含二氧化碳体系压力的经验方程，根据笔者关于二氧化碳和环氧丙烷共聚反应的汽液平衡和动力学理论，提出用计算机预测反应过程中每时刻的系统压力、各相组成、单体浓度、反应速度、产物组成以及产率等的方法。结果与实验相符，有助于对透彻了解该类反应和指导其工业实施。For the multiphase systems involving CO_2, an empirical equation is introduced to estimate the pressure from the system components. Procedures to simulate the copolymerization process of CO_2 and propylene oxide is suggested based on the vapor-liquid equilibrium and kinetic principles developed by the authors. By the method it is possible previously to the reaction to calculate various parameters, such as the system pressure, the phase compositions, the monomer concentrations, the rates of polymerization, the yields and the unit fractions of the copolymer. The results have been found consistent with the experimental observations.

关 键 词：二氧化碳 环氧丙烷 共聚合 计算机模拟 聚合 

分 类 号：O631.5[理学—高分子化学]