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School of Chemistry, University of New South Wales, Sydney, New South Wales 2052, Australia

机译:新南威尔士大学化学学院,悉尼,新南威尔士2052,澳大利亚

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摘要

We used dynamic light scattering (DLS) and computer simulations based on the fluctuating lattice Boltzmann equation (LBE) method to study the short-time Brownian dynamics of colloidal particles that interact like hard spheres. The dynamics are characterized by a Q-vector-dependent diffusion coefficient DS(Q). Using DLS, we have mesaured DS(Q) in the vicinity of the main (first) peak in the structure factor S(Q) for samples of poly-methylmethacrylate particles at volume fractions phi ranging from dilute up to the disorder-order transition (i.e., crystallization at phi =0.494). In addition we have determined the short-time self-diffusion (DSS) and collective-diffusion DCS coefficients. We have extracted the same quantities from simulations of equilibrium configurations of hard spheres using a fluctuating lattice Boltzmann equation method for the fluid phase coupled to Newtonian mechanics for the colloidal particles. For all samples studied, close quantitative agreement is found between the results of the DLS experiments and the LBE simulations.
机译:我们使用动态光散射(DLS)和基于波动晶格Boltzmann方程(LBE)方法的计算机模拟来研究像硬球一样相互作用的胶体粒子的短时布朗动力学。动力学的特征在于依赖于Q矢量的扩散系数DS(Q)。使用DLS,我们已经测量了聚甲基丙烯酸甲酯颗粒样品的结构因子S(Q)的主峰(第一个)附近的DS(Q),其体积分数phi从稀释到无序过渡(即在phi = 0.494时结晶)。此外,我们确定了短时自扩散(DSS)和集体扩散DCS系数。我们使用了波动的格子Boltzmann方程方法对胶体粒子进行牛顿力学耦合,从硬球的平衡构型模拟中提取了相同数量的物质。对于所有研究的样品,在DLS实验的结果和LBE模拟的结果之间发现了密切的定量一致性。

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