聚合物分子模型的Brown动力学模拟

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．

BROWNIAN DYNAMICS SIMULATION OF MOLECULE MODELS IN POLYMER RHEOLOGY

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.