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,提出利用FENE珠-簧链分子模型来确定聚合物稀溶液分子链在简单剪切流场下不同时刻位形的变化,并对分子链与流动方向的取向角和分子链在速度梯度方向上的构象厚度进行了计算。
Brownian dynamics simulation is used to capture the most important features of dynamics of dilute polymer solution . The efficiency numerical schemes have been evaluated by performing FENE(finitely extensihle nonlinear elastic) bead-spring chain models in simple shear flow. Orientation and configuration thickness of the molecule chains in the shear flow was simulated.