Max-Planck-Institut für Metallforschung, Heisenbergstraße 3, D-70569 Stuttgart, Germany.
J Phys Condens Matter. 2010 Sep 15;22(36):364109. doi: 10.1088/0953-8984/22/36/364109. Epub 2010 Aug 20.
Classical dynamic density functional theory (DDFT) has developed into a versatile tool for describing the dynamics of overdamped Brownian particles. The underlying equilibrium density functional is a quantitative model for colloidal suspensions. Non-equilibrium properties of these systems are strongly influenced by the solvent hydrodynamics. In this paper we discuss ways to introduce certain aspects of solvent hydrodynamics into the DDFT, in particular advection by a flowing solvent and hydrodynamic interactions among suspended particles as well as with container walls.
经典动力密度泛函理论(DDFT)已经发展成为描述过阻尼布朗粒子动力学的通用工具。基础的平衡密度泛函是胶体悬浮液的定量模型。这些系统的非平衡性质受溶剂流体力学的强烈影响。本文讨论了将溶剂流体力学的某些方面引入 DDFT 的方法,特别是流动溶剂的平流和悬浮粒子与容器壁之间的流体动力学相互作用。