计算机模拟纤维半径对PEG等温结晶动力学参数的影响  

The Monte Carlo method simulating the effect of radii on isothermal crystallization of PEG fibers

作　　者：张志英[1] 王曙光[1] 董知之[1] 宋正红[1] 肖长发[1] 

机构地区：[1]天津工业大学材料科学与化学工程学院改性与功能纤维重点实验室,天津300160

出　　处：《计算机与应用化学》2007年第2期277-280,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);天津市重点实验室天津市科技发展计划项目(06TXTJJC14400);天津工业大学"重中之重"人才配套项目(20060526)

摘　　要：本文在预先成核条件下用Monte Carlo方法模拟了53．5℃时PEG纤维的结晶动力学过程。在模拟过程中发现,当纤维的半径达到36μm后,结晶体的生长方式发生转变,表现在Avrami图形上就是在结晶的初期出现了一个不同于二次结晶的转折点。用Avrami方程对模拟实验结果进行了分析讨论,结果表明这个转折点是结晶体在生长过程中由三维生长模式向一维生长模式转变的表现。Isothermal crystallization process of PEG in a confined volume at 53.5℃ was simulated in the case of instantaneous nucleation by using the Monte Carlo method. It was found that there was a transformation of the growth geometry of an entity when the radii were less than 36 μm. It was showed that a primary turning point appeared in the Avrami plot in the very beginning of the crystallization process with the exclusion of the secondary crystallization. The data were analyzed by using the Avrami equation and the result showed that the primary turning point is an indication of a transformation of crystal growth geometry from a three-dimensional mode to a one-dimensional one.

关 键 词：Avrami方程 等温结晶 有限体积 计算机模拟 

分 类 号：O63[理学—高分子化学]