Cichocki Bogdan, Ekiel-Jezewska Maria L
Institute of Theoretical Physics, University of Warsaw, ul. Hoza 69, 00-681 Warsaw, Poland.
J Chem Phys. 2009 Jun 7;130(21):214902. doi: 10.1063/1.3146786.
Self-diffusion of a sphere in a network of rods is analyzed theoretically. Hydrodynamic interactions are taken into account according to the model of Dhont et al. [J. Chem. Phys. 122, 044905 (2005); ibid.124, 044907 (2006); ibid.126, 214501 (2007)] based on the Debye-Bueche-Brinkman equation. The hydrodynamic screening length of the effective medium is assumed to be much larger than the sphere radius and the rod thickness. The self-diffusion coefficient, given by Dhont et al. in terms of four-dimensional integrals, is in this work expressed in terms of a single integral only and therefore evaluated numerically with a high precision. Moreover, simple expressions for the self-diffusion coefficient are derived and shown to be independent of the rod length. They can be useful for experimental verification of the model.
从理论上分析了球体在棒状网络中的自扩散。根据Dhont等人的模型[《化学物理杂志》122, 044905 (2005); 同上124, 044907 (2006); 同上126, 214501 (2007)],基于德拜-布歇-布林克曼方程考虑了流体动力学相互作用。假设有效介质的流体动力学屏蔽长度远大于球体半径和棒的厚度。Dhont等人用四维积分给出的自扩散系数,在这项工作中仅用一个积分表示,因此可以高精度地进行数值计算。此外,还推导了自扩散系数的简单表达式,并证明其与棒的长度无关。它们可用于该模型的实验验证。