Institute of Fundamental Technological Research, Polish Academy of Sciences, Pawińskiego 5B, 02-106 Warsaw, Poland.
J Chem Phys. 2011 Oct 28;135(16):164104. doi: 10.1063/1.3653941.
Self-diffusion of colloidal particles confined to a cylindrical microchannel is considered theoretically and numerically. Virial expansion of the self-diffusion coefficient is performed. Two-body and three-body hydrodynamic interactions are evaluated with high precision using the multipole method. The multipole expansion algorithm is also used to perform numerical simulations of the self-diffusion coefficient, valid for all possible particle packing fractions. Comparison with earlier results shows that the widely used method of reflections is insufficient for calculations of hydrodynamic interactions even for small packing fractions and small particles radii, contrary to the prevalent opinion.
理论和数值上研究了受限在圆柱微通道中胶体粒子的自扩散。自扩散系数的 Virial 展开式被执行。使用多极方法以高精度评估二体和三体流体力学相互作用。多极展开算法也被用于自扩散系数的数值模拟，适用于所有可能的粒子堆积分数。与早期结果的比较表明，即使对于小的堆积分数和小的粒子半径，广泛使用的反射方法对于计算流体力学相互作用也是不够的，这与普遍的观点相反。
