Stirner T, Sun Jizhong
Department of Chemistry, University of Hull, Hull HU6 7RX, UK.
Langmuir. 2005 Jul 5;21(14):6636-41. doi: 10.1021/la050402q.
Molecular dynamics simulations of binary colloidal monolayers, i.e., monolayers consisting of mixtures of two different particle sizes, are presented. In the simulations, the colloid particles are located at an oil-water interface and interact via an effective dipole-dipole potential. In particular, the influence of the particle ratio on the configurations of the binary monolayers is investigated for two different relative interaction strengths between the particles, and the pair correlation functions corresponding to the binary monolayers are calculated. The simulations show that the binary monolayers can only form two-dimensional crystals for certain particle ratios, for example, 2:1, 6:1, etc., while, for example, for a particle ratio of 7:1 the monolayers are found to be in a disordered, glassy state. The calculations also reveal that in analogy to the Wigner lattice the configurations are very sensitive to the relative interaction strength between the particles but not to the absolute magnitude of the interaction strength, even when particle size effects are taken into account. Consequently, it is argued that a comparison between the calculated configurations and actual binary particle monolayer systems could provide useful information on the relative interaction strength between large and small particles. Possible mechanisms giving rise to disparities in the interaction strength between large and small particles are described briefly.
本文展示了二元胶体单层的分子动力学模拟,即由两种不同粒径颗粒混合物组成的单层。在模拟中,胶体颗粒位于油水界面,并通过有效偶极 - 偶极势相互作用。特别地,针对颗粒间两种不同的相对相互作用强度,研究了颗粒比例对二元单层结构的影响,并计算了与二元单层对应的对关联函数。模拟表明,二元单层仅在特定颗粒比例下,例如2:1、6:1等,才能形成二维晶体,而例如对于7:1的颗粒比例,单层则处于无序的玻璃态。计算还表明,类似于维格纳晶格,结构对颗粒间的相对相互作用强度非常敏感,而对相互作用强度的绝对值不敏感,即使考虑了粒径效应。因此,有人认为将计算得到的结构与实际二元颗粒单层系统进行比较,可以提供有关大颗粒和小颗粒间相对相互作用强度的有用信息。简要描述了导致大颗粒和小颗粒间相互作用强度差异的可能机制。