Banchio Adolfo J, Nägele Gerhard
CONICET and FaMAF, Universidad Nacional de Córdoba, Ciudad Universitaria, X5000HUA, Córdoba, Argentina.
J Chem Phys. 2008 Mar 14;128(10):104903. doi: 10.1063/1.2868773.
We present a detailed study of short-time dynamic properties in concentrated suspensions of charge-stabilized and of neutral colloidal spheres. The particles in many of these systems are subject to significant many-body hydrodynamic interactions. A recently developed accelerated Stokesian dynamics (ASD) simulation method is used to calculate hydrodynamic functions, wave-number-dependent collective diffusion coefficients, self-diffusion and sedimentation coefficients, and high-frequency limiting viscosities. The dynamic properties are discussed in dependence on the particle concentration and salt content. Our ASD simulation results are compared with existing theoretical predictions, notably those of the renormalized density fluctuation expansion method of Beenakker and Mazur [Physica A 126, 349 (1984)], and earlier simulation data on hard spheres. The range of applicability and the accuracy of various theoretical expressions for short-time properties are explored through comparison with the simulation data. We analyze, in particular, the validity of generalized Stokes-Einstein relations relating short-time diffusion properties to the high-frequency limiting viscosity, and we point to the distinctly different behavior of de-ionized charge-stabilized systems in comparison to hard spheres.
我们对电荷稳定的和中性胶体球的浓悬浮液中的短时间动态特性进行了详细研究。这些系统中许多系统的粒子都受到显著的多体流体动力学相互作用。最近开发的加速斯托克斯动力学(ASD)模拟方法用于计算流体动力学函数、与波数相关的集体扩散系数、自扩散和沉降系数以及高频极限粘度。根据粒子浓度和盐含量对动态特性进行了讨论。我们的ASD模拟结果与现有的理论预测进行了比较,特别是贝纳克尔和马祖尔的重整化密度涨落展开方法[《物理学报A》126, 349 (1984)]以及早期关于硬球的模拟数据。通过与模拟数据比较,探索了各种短时间特性理论表达式的适用范围和准确性。我们特别分析了将短时间扩散特性与高频极限粘度联系起来的广义斯托克斯 - 爱因斯坦关系的有效性,并指出与硬球相比,去离子化电荷稳定系统有明显不同的行为。