Literature DB >> 18331102

The short-time self-diffusion coefficient of a sphere in a suspension of rigid rods.

J Guzowski1, B Cichocki, E Wajnryb, G C Abade.   

Abstract

The short-time self-diffusion coefficient of a sphere in a suspension of rigid rods is calculated in first order in the rod volume fraction phi. For low rod concentrations, the correction to the Einstein diffusion constant of the sphere due to the presence of rods is a linear function of phi with the slope alpha proportional to the equilibrium averaged mobility diminution trace of the sphere interacting with a single freely translating and rotating rod. The two-body hydrodynamic interactions are calculated using the so-called bead model in which the rod of aspect ratio p is replaced by a stiff linear chain of touching spheres. The interactions between spheres are calculated using the multipole method with the accuracy controlled by a multipole truncation order and limited only by the computational power. A remarkable accuracy is obtained already for the lowest truncation order, which enables calculations for very long rods, up to p=1000. Additionally, the bead model is checked by filling the rod with smaller spheres. This procedure shows that for longer rods the basic model provides reasonable results varying less than 5% from the model with filling. An analytical expression for alpha as a function of p is derived in the limit of very long rods. The higher order corrections depending on the applied model are computed numerically. An approximate expression is provided, valid for a wide range of aspect ratios.

Year:  2008        PMID: 18331102     DOI: 10.1063/1.2837296

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Polymer-Metal Interfacial Friction Characteristics under Ultrasonic Plasticizing Conditions: A United-Atom Molecular Dynamics Study.

Authors:  Wangqing Wu; Changsheng He; Yuanbao Qiang; Huajian Peng; Mingyong Zhou
Journal:  Int J Mol Sci       Date:  2022-03-04       Impact factor: 5.923

  1 in total

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