计算机模拟不同成核方式PET非等温结晶过程  

Computer simulation on non-isothermal crystallization of poly(ethylene tereph-thalate)at different nucleation mode

作　　者：董知之[1] 张志英[1] 陈莉[1] 王曙光[1] 袁清华[1] 

机构地区：[1]天津工业大学材料化工学院,改性与功能纤维天津市重点实验室,天津300160

出　　处：《计算机与应用化学》2008年第5期591-594,共4页Computers and Applied Chemistry

基　　金：天津市高等学校科技发展基金项目(20050511);天津市科技发展计划项目(06TXTJJC14400);天津市科技攻关计划重大项目(05YFGDGX10000)

摘　　要：采用Monte Carlo方法模拟了聚对苯二甲酸乙二酯(PET)在不同成核方式下的非等温结晶过程。发现在预先成核方式下,用Ozawa方程处理实验数据获得的Avrami指数n与理论值3一致。在散现成核方式下,当晶核数目随时间线性增加到一定值不再变化时,获得的Avrami指数n介于理论值3和4之间,表明在散现成核条件下,晶核数目随时间变化增长到一定数目后,成核方式开始由散现成核向预先成核转变。The non-isothermal crystallization process of poly（ ethylene terephthalate） at different nucleation mode were researched by u- sing Monte Carlo simulation. The results showed that the value of Avrami exponent near to the theory value 3 at predetermined nucleation mode when the experiment data were deal with the Ozawa equation. Under the condition of the sporadic nucleation, the values of Avrami exponent were intervenient 3 and 4 with the number of nucleic linearity increase to some value. It was showed that when the number of nucleic attains to some value the nucleation mode was change from sporadic nucleation to predetermined nucleation.

关 键 词：计算机模拟 成核方式 非等温结晶 PET 

分 类 号：O63[理学—高分子化学]