Theoretical Soft Matter and Biophysics, Institute of Complex Systems, Forschungszentrum Jülich, D-52425 Jülich, Germany.
J Chem Phys. 2011 Oct 7;135(13):134116. doi: 10.1063/1.3646307.
In order to study the dynamics of colloidal suspensions with viscoelastic solvents, a simple mesoscopic model of the solvent is required. We propose to extend the multiparticle collision dynamics (MPC) technique--a particle-based simulation method, which has been successfully applied to study the hydrodynamic behavior of many complex fluids with Newtonian solvent--to shear-thinning viscoelastic solvents. Here, the normal MPC particles are replaced by dumbbells with finite-extensible nonlinear elastic (FENE) springs. We have studied the properties of FENE-dumbbell fluids under simple shear flow with shear rate ̇γ. The stress tensor is calculated, and the viscosity η and the first normal-stress coefficient Ψ(1) are obtained. Shear-thinning behavior is found for reduced shear rates Γ= ̇γτ>1, where τ is a characteristic dumbbell relaxation time. Here, both η and Ψ(1) display power-law behavior in the shear-thinning regime. Thus, the FENE-dumbbell fluid with MPC collisions provides a good description of viscoelastic fluids. As a first application, we study the flow behavior of a colloid in a shear-thinning viscoelastic fluid in two dimensions. A slowing down of the colloid rotation in a viscoelastic fluid compared to a Newtonian fluid is obtained, in agreement with recent numerical calculations and experimental results.
为了研究具有粘弹性溶剂的胶体悬浮液的动力学,需要一个简单的溶剂介观模型。我们建议将多粒子碰撞动力学(MPC)技术——一种已成功应用于研究牛顿溶剂中许多复杂流体的流体动力学行为的基于粒子的模拟方法——扩展到剪切稀化粘弹性溶剂中。在这里,普通的 MPC 粒子被具有有限可伸展非线性弹性(FENE)弹簧的哑铃所取代。我们已经研究了在剪切速率 ̇γ下的简单剪切流中 FENE-哑铃流体的性质。计算了应力张量,并得到了粘度 η 和第一法向应力系数 Ψ(1)。对于减少的剪切率 Γ= ̇γτ>1,发现了剪切稀化行为,其中 τ 是特征哑铃松弛时间。在这里,η 和 Ψ(1) 在剪切稀化区都呈现出幂律行为。因此,具有 MPC 碰撞的 FENE-哑铃流体为粘弹性流体提供了很好的描述。作为第一个应用,我们在二维中研究了胶体在剪切稀化粘弹性流体中的流动行为。与牛顿流体相比,胶体在粘弹性流体中的旋转速度减慢,这与最近的数值计算和实验结果一致。