化工学报 ›› 2007, Vol. 58 ›› Issue (8): 1897-1904.

• 传递现象 • 上一篇    下一篇

聚合物流动的多尺度模拟

张小华;欧阳洁;孔倩   

  1. 西北工业大学应用数学系
  • 出版日期:2007-08-05 发布日期:2007-08-05

Micro-macro simulation of polymeric fluid flow

ZHANG Xiaohua;OUYANG Jie;KONG Qian   

  • Online:2007-08-05 Published:2007-08-05

摘要:

基于聚合物分子运动论,提出了一种新的计算聚合物流体的多尺度方法。该方法在宏观尺度上应用无网格方法求解速度场,在微观尺度上应用随机模拟技术计算聚合物对应力的贡献,从而避免需要本构方程来封闭连续性方程和动量守恒方程。对Hooke哑铃模型、FENE哑铃模型、FENE-P哑铃模型,模拟了突然起动平面Couette流动;对Hooke哑铃模型,模拟了方腔驱动流动。从而验证了该方法的有效性和计算结果的可靠性。

关键词:

无网格方法, Brown动力学模拟, 多尺度方法, 聚合物流体

Abstract:

Based on simulation of molecular models of polymeric fluids,a new micro-macro method for numerical calculation of viscoelastic flow is presented in this paper. This method coupled the mass and momentum conservation equations at the macroscopic level,with a stochastic differential equation which models the evolution of the polymer configures at the microscopic level. Accordingly,the velocity filed was determined by solving the conservation equation with a meshless method,and the stress was computed from the molecular configuration rather than from closed-form constitutive equations. Thus this method bypassed the need for a rheological constitutive equation to describe the polymeric fluid. In order to validate this method and to demonstrate its robustness,the start-up planar Couette flow was studied for Hookean,FENE and FENE-P dumbbell models and the lid-driven cavity flow was studied for Hookean dumbbell models.

Key words:

无网格方法, Brown动力学模拟, 多尺度方法, 聚合物流体