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浓双分散硬球悬浮液中的短时扩散

Short-time diffusion in concentrated bidisperse hard-sphere suspensions.

作者信息

Wang Mu, Heinen Marco, Brady John F

机构信息

Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.

出版信息

J Chem Phys. 2015 Feb 14;142(6):064905. doi: 10.1063/1.4907594.

Abstract

Diffusion in bidisperse Brownian hard-sphere suspensions is studied by Stokesian Dynamics (SD) computer simulations and a semi-analytical theoretical scheme for colloidal short-time dynamics, based on Beenakker and Mazur's method [Physica A 120, 388-410 (1983); 126, 349-370 (1984)]. Two species of hard spheres are suspended in an overdamped viscous solvent that mediates the salient hydrodynamic interactions among all particles. In a comprehensive parameter scan that covers various packing fractions and suspension compositions, we employ numerically accurate SD simulations to compute the initial diffusive relaxation of density modulations at the Brownian time scale, quantified by the partial hydrodynamic functions. A revised version of Beenakker and Mazur's δγ-scheme for monodisperse suspensions is found to exhibit surprisingly good accuracy, when simple rescaling laws are invoked in its application to mixtures. The so-modified δγ scheme predicts hydrodynamic functions in very good agreement with our SD simulation results, for all densities from the very dilute limit up to packing fractions as high as 40%.

摘要

通过斯托克斯动力学(SD)计算机模拟以及基于贝纳克尔和马祖尔方法[《物理学报A》120, 388 - 410 (1983); 126, 349 - 370 (1984)]的胶体短时间动力学半解析理论方案,研究了双分散布朗硬球悬浮液中的扩散。两种硬球悬浮在过阻尼粘性溶剂中,该溶剂介导了所有粒子之间显著的流体动力学相互作用。在涵盖各种填充分数和悬浮液组成的全面参数扫描中,我们采用数值精确的SD模拟来计算布朗时间尺度下密度调制的初始扩散弛豫,由部分流体动力学函数量化。当将简单的重标度定律应用于混合物时,发现贝纳克尔和马祖尔单分散悬浮液的δγ方案的修订版具有惊人的高精度。对于从极稀极限到高达40%的填充分数的所有密度,如此修改后的δγ方案预测的流体动力学函数与我们的SD模拟结果非常吻合。

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