Mériguet G, Jardat M, Turq P
Laboratoire Liquides Ioniques et Interfaces Chargées, UMR CNRS 7612, Université Pierre et Marie Curie, case 51, 4 place Jussieu, 75252 Paris, France.
J Chem Phys. 2004 Sep 22;121(12):6078-85. doi: 10.1063/1.1784434.
We present Brownian dynamics simulations of real charge-stabilized ferrofluids, which are stable colloidal dispersions of magnetic nanoparticles, with and without the presence of an external magnetic field. The colloidal suspensions are treated as collections of monodisperse spherical particles, bearing point dipoles at their centers and undergoing translational and rotational Brownian motions. The overall repulsive isotropic interactions between particles, governed by electrostatic repulsions, are taken into account by a one-component effective pair interaction potential. The potential parameters are fitted in order that computed structure factors are close to the experimental ones. Two samples of ferrofluid differing by the particle diameter and consequently by the intensity of the magnetic interaction are considered here. The magnetization and birefringence curves are computed: a deviation from the ideal Langevin behaviors is observed if the dipolar moment of particles is sufficiently large. Structure factors are also computed from simulations with and without an applied magnetic field H: the microstructure of the repulsive ferrofluid becomes anisotropic under H. Even our simple modeling of the suspension allows us to account for the main experimental features: an increase of the peak intensity is observed in the direction perpendicular to the field whereas the peak intensity decreases in the direction parallel to the field.
我们展示了真实电荷稳定铁磁流体的布朗动力学模拟,铁磁流体是磁性纳米颗粒的稳定胶体分散体,模拟考虑了有无外部磁场的情况。胶体悬浮液被视为单分散球形颗粒的集合,颗粒中心带有点偶极子,并进行平移和旋转布朗运动。由静电排斥作用控制的颗粒间整体各向同性排斥相互作用,通过单组分有效对相互作用势来考虑。拟合势参数以使计算得到的结构因子接近实验值。这里考虑了两种铁磁流体样品,它们的颗粒直径不同,因而磁相互作用强度也不同。计算了磁化曲线和双折射曲线:如果颗粒的偶极矩足够大,会观察到与理想朗之万行为的偏差。还通过有和没有外加磁场H的模拟计算了结构因子:在磁场H作用下,排斥性铁磁流体的微观结构变得各向异性。即使我们对悬浮液的简单建模也能解释主要的实验特征:在垂直于磁场的方向观察到峰值强度增加,而在平行于磁场的方向峰值强度降低。