Dimensional confinement and superdiffusive rotational motion of uniaxial colloids in the presence of cylindrical obstacles

Vikki Anand Varma, Sujin B Babu
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Abstract

In biological system like cell the macromolecules which are anisotropic particles diffuse in a crowded medium. In the present work we have studied the diffusion of spheroidal particles diffusing between cylindrical obstacles by varying the density of the obstacles as well as the spheroidal particles. Analytical calculation of the free energy showed that the orientational vector of a single oblate particle will be aligned perpendicular and a prolate particle will be aligned parallel to the symmetry axis of the cylindrical obstacles in equilibrium. The nematic transition of the system with and without obstacle remained the same, but in the case of obstacles the nematic vector of the spheroid system always remained parallel to the cylindrical axis. The component of the translational diffusion coefficient of the spheroidal particle perpendicular to the axis of the cylinder is calculated for isotropic system which agrees with analytical calculation. When the cylinders overlap such that the spheroidal particles can only diffuse along the direction parallel to the axis of the cylinder we could observe dimensional confinement. This was observed by the discontinuous fall of the diffusion coefficient, when plotted against the chemical potential both for single particle as well as for finite volume fraction. The rotational diffusion coefficient quickly reached the bulk value as the distance between the obstacle increased in the isotropic phase. In the nematic phase the rotational motion of the spheroid should be arrested. We observed that even though the entire system remained in the nematic phase the oblate particle close to the cylinder underwent flipping motion. The consequence is that when the rotational mean squared displacement was calculated it showed a super-diffusive behavior even though the orientational self correlation function never relaxed to zero.
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存在圆柱形障碍物时单轴胶体的尺寸限制和超扩散旋转运动
在细胞等生物系统中,各向异性的大分子颗粒会在拥挤的介质中扩散。自由能的分析计算表明,在平衡状态下,单个扁球形粒子的方向矢量将垂直于圆柱形障碍物的对称轴,而增大粒子的方向矢量将平行于圆柱形障碍物的对称轴。有障碍物和没有障碍物时,系统的向列矢量转变保持不变,但在有障碍物的情况下,球面系统的向列矢量始终保持与圆柱轴平行。在各向同性系统中,计算了球形粒子垂直于圆柱体轴线的平移扩散系数分量,这与分析计算结果一致。当圆柱体重叠时,球形粒子只能沿平行于圆柱体轴线的方向扩散,我们可以观察到尺寸限制。当绘制单颗粒和有限体积分数的扩散系数与化学势的关系图时,扩散系数的不连续下降就证明了这一点。在各向同性相中,随着障碍物之间距离的增加,旋转扩散系数很快就达到了体积值。在向列相中,球体的旋转运动应该停止。我们注意到,尽管整个系统仍处于向列相中,但靠近圆柱体的球状颗粒发生了翻转运动。其结果是,在计算旋转均方位移时,尽管方向相关函数从未松弛为零,但却显示出超扩散行为。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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