中文摘要：

提出利用FENE珠-簧链分子模型描述聚合物微观结构，介绍了分子Brown动力学模拟方法，模拟了聚合物稀溶液分子链在剪切流场下不同时刻位形的变化，并计算出不同时刻聚合物流动过程中应力的大小，考虑不同剪切速率和不同区域分子链所受应力的变化，用半隐式预估校正法对流动过程中分子链位彤控制方程进行计算，利用牛顿迭代法对非线性方程组进行求解、

英文摘要：

Brownian dynamics simulation is used to capture the most important features of dynamics of dilute polymer solution. The molecular configurations and the molecular mechanics in molecular simulations are summarized. The simulations analyze the effects of shear - rate and different molecular chains on molecular force field. The efficiency numerical schemes have been evaluated by performing FENE （finitely extensible nonlinear elastic） bead - spring chain models in simple shear flow. The semi - implicit predictor - corrector method is employed to solve governing equations while Newtonian iteration method is used to solve nonlinear equations.