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.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
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)
关键词
计算机模拟
成核方式
非等温结晶
PET
computer simulation, nucleation mode, non-isothermal crystallization, poly（ethylene terephthalate） （PET）
