Ferrari Silvano, Bianchi Emanuela, Kalyuzhnyi Yura V, Kahl Gerhard
Institut für Theoretische Physik, Technische Universität Wien, Wiedner Hauptstraße 8-10, A-1040 Wien, Austria.
J Phys Condens Matter. 2015 Jun 17;27(23):234104. doi: 10.1088/0953-8984/27/23/234104. Epub 2015 May 26.
Inverse patchy colloids (IPCs) differ from conventional patchy particles because their patches repel (rather than attract) each other and attract (rather than repel) the part of the colloidal surface that is free of patches. These particular features occur, e.g. in heterogeneously charged colloidal systems. Here we consider overall neutral IPCs carrying two, relatively small, polar patches. Previous studies of the same model under planar confinement have evidenced the formation of branched, disordered aggregates composed of ring-like structures. We investigate here the bulk behavior of the system via molecular dynamics simulations, focusing on both the structure and the dynamics of the fluid phase in a wide region of the phase diagram. Additionally, the simulation results for the static observables are compared to the Associative Percus Yevick solution of an integral equation approach based on the multi-density Ornstein-Zernike theory. A good agreement between theoretical and numerical quantities is observed even in the region of the phase diagram where the slowing down of the dynamics occurs.
反式斑图胶体(IPCs)与传统斑图粒子不同,因为它们的斑块相互排斥(而非吸引),并吸引(而非排斥)胶体表面无斑块的部分。这些特殊特征例如出现在非均匀带电的胶体系统中。在这里,我们考虑携带两个相对较小极性斑块的整体中性IPCs。之前在平面限制条件下对同一模型的研究证明,会形成由环状结构组成的分支状无序聚集体。我们通过分子动力学模拟研究该系统的体相行为,重点关注相图广泛区域内流体相的结构和动力学。此外,将静态可观测量的模拟结果与基于多密度奥恩斯坦 - 泽尼克理论的积分方程方法的关联珀库斯 - 耶维克解进行比较。即使在动力学出现减慢的相图区域,理论值和数值之间也观察到了良好的一致性。