聚合物分子模型的Brown动力学模拟  

BROWNIAN DYNAMICS SIMULATION OF MOLECULE MODELS IN POLYMER RHEOLOGY

作　　者：方建农[1] 范西俊[1] 

机构地区：[1]浙江大学力学系,杭州310027

出　　处：《力学进展》1999年第1期112-120,共9页Advances in Mechanics

基　　金：国家自然科学基金!19472056

摘　　要：介绍了研究聚合物分子模拟流变性质的Brown动力学模拟方法，综述了有关这方面的研究工作．在通常情况下，将分子模型的数值模拟与求解流动守恒方程的数值解法相结合，便有可能用分子模型去代替连续介质力学的本构方程，来模拟聚合物流体的复杂流动．本文介绍了这一方法的产生背景、最新进展以及优点．The Brownian dynamics simulation method which is used to study the rheological properties of molecule models in polymer is described and the researches on this method are summarized. In general cases, the methods for the study of molecule models can be combinedwith the numerical methods for solving the conservation equations in fluid dynamics. Then, it is possible to use a molecule model to take the place of the constitutive equation in continuum mechanics for numerical simulation of complex flows of polymer liquids. The latest progresses in this field are presented and the interesting features of the method are discussed.

关 键 词：分子模型 动力学模拟 聚合物流动 流变学 

分 类 号：O631.21[理学—高分子化学] O37[理学—化学]