School of Mathematics and Maxwell Institute for Mathematical Sciences, University of Edinburgh, Edinburgh EH9 3FD, United Kingdom.
Department of Chemical Engineering, Imperial College London, London SW7 2AZ, United Kingdom.
J Chem Phys. 2016 Dec 7;145(21):214106. doi: 10.1063/1.4968565.
We study the dynamics of colloidal fluids in both unconfined geometries and when confined by a hard wall. Under minimal assumptions, we derive a dynamical density functional theory (DDFT) which includes hydrodynamic interactions (HI; bath-mediated forces). By using an efficient numerical scheme based on pseudospectral methods for integro-differential equations, we demonstrate its excellent agreement with the full underlying Langevin equations for systems of hard disks in partial confinement. We further use the derived DDFT formalism to elucidate the crucial effects of HI in confined systems.
我们研究了无约束几何形状和受硬壁约束时胶体流体的动力学。在最小假设的条件下，我们推导出了一个动力学密度泛函理论（DDFT），其中包括了流体动力学相互作用（HI；浴介导的力）。通过使用基于伪谱方法的高效数值方案来求解积分微分方程，我们证明了该理论与部分受限的硬圆盘系统的完整基础朗之万方程具有极好的一致性。我们进一步利用推导出的 DDFT 形式来阐明 HI 在受限系统中的关键影响。
