Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands.
J Chem Phys. 2012 Sep 14;137(10):104910. doi: 10.1063/1.4751482.
In this paper we study the electrostatic properties of "Janus" spheres with unequal charge densities on both hemispheres. We introduce a method to compare primitive-model Monte Carlo simulations of the ionic double layer with predictions of (mean-field) nonlinear Poisson-Boltzmann theory. We also derive practical Derjaguin Landau Verwey Overbeek (DLVO)-like expressions that describe the Janus-particle pair interactions by mean-field theory. Using a large set of parameters, we are able to probe the range of validity of the Poisson-Boltzmann approximation, and thus of DLVO-like theories, for such particles. For homogeneously charged spheres this range corresponds well to the range that was predicted by field-theoretical studies of homogeneously charged flat surfaces. Moreover, we find similar ranges for colloids with a Janus-type charge distribution. The techniques and parameters we introduce show promise for future studies of an even wider class of charged-patterned particles.
在本文中,我们研究了具有半球上不等电荷密度的“双面”球体的静电特性。我们引入了一种方法来比较离子双电层的原始模型蒙特卡罗模拟与(平均场)非线性泊松-玻尔兹曼理论的预测。我们还推导出实用的类似德加古林-朗道-维韦(DLVO)的表达式,这些表达式通过平均场理论来描述双面粒子对相互作用。使用大量参数,我们能够探测泊松-玻尔兹曼近似的有效范围,因此也探测了类似 DLVO 的理论对于这些粒子的有效范围。对于均匀带电球体,该范围与均匀带电平面的场理论研究所预测的范围非常吻合。此外,我们还发现具有 Janus 型电荷分布的胶体具有类似的范围。我们引入的技术和参数为未来研究更广泛的带电图案粒子类提供了希望。