Yang Jiao, McCoy Benjamin J, Madras Giridhar
Department of Chemical Engineering, Louisiana State University, Baton Rouge, Louisiana 70803, USA.
J Chem Phys. 2005 Feb 8;122(6):064901. doi: 10.1063/1.1844373.
Cluster distribution kinetics is adopted to explore the kinetics of polymer crystallization. Population balance equations based on crystal size distribution and concentration of amorphous polymer segments are solved numerically and the related dynamic moment equations are also solved. The model accounts for heterogeneous or homogeneous nucleation and crystal growth. Homogeneous nucleation rates follow the classical surface-energy nucleation theory. Different mass dependences of growth and dissociation rate coefficients are proposed to investigate the fundamental features of nucleation and crystal growth. A comparison of moment solutions with numerical solutions examines the validity of the model. The proposed distribution kinetics model provides a different interpretation of the familiar Avrami equation.
采用簇分布动力学来探究聚合物结晶动力学。基于晶体尺寸分布和非晶态聚合物链段浓度的群体平衡方程通过数值求解，相关的动态矩方程也得到求解。该模型考虑了异相成核或均相成核以及晶体生长。均相成核速率遵循经典的表面能成核理论。提出了生长和解离速率系数的不同质量依赖性，以研究成核和晶体生长的基本特征。将矩解与数值解进行比较，检验了模型的有效性。所提出的分布动力学模型对常见的阿弗拉米方程给出了不同的解释。
