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首页> 外文期刊>Journal of computational science >A lattice Boltzmann study on Brownian diffusion and friction of a particle in a confined multicomponent fluid
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A lattice Boltzmann study on Brownian diffusion and friction of a particle in a confined multicomponent fluid

机译：覆盖多组分液中棕色扩散和粒子的棕色扩散和摩擦的格子Boltzmann研究

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摘要

We study the diffusivity of a small particle immersed in a square box filled with a non-ideal multicomponent fluid in the presence of thermal fluctuations. Our approach is based on the numerical integration of fluctuating lattice Boltzmann models (LBM) for multicomponent mixtures. At changing the wettability on the particle's surface, we measure the mean square displacement (MSD) and compare with the prediction of the Stokes-Einstein theory. Two main set-ups are tested, involving periodic boundary conditions and wall boundary conditions realized on the computational box. We find that full periodic boundary conditions give rise to random advection after millions of lattice Boltzmann time steps, while this effect is mitigated in the presence of wall boundary conditions. The matching with the Stokes-Einstein relation is therefore guaranteed when we use the appropriate frictional properties measured in the presence of confinement. Our results will help the exploration of nanoscale applications with multicomponent fluids using LBM in the presence of thermal fluctuations. (C) 2020 The Authors. Published by Elsevier B.V.
机译：我们研究浸入填充有非理想多组分流体的方框中的小颗粒的扩散率在热波动存在下。我们的方法是基于波动晶格Boltzmann模型（LBM）对多组分混合物的数值集成。在改变粒子表面上的润湿性时，我们测量平均方位位移（MSD）并与斯托克斯 - 爱因斯坦理论的预测相比。测试两个主要设置，涉及在计算盒上实现的周期性边界条件和墙边界条件。我们发现满周期性边界条件在数百万格子Boltzmann时间步骤之后导致随机平流，而这种效果在墙边界条件的存在下减轻。因此，当我们在存在限制时使用适当的摩擦性能时，可以保证与Stokes-Einstein关系的匹配。我们的结果将在存在热波动的情况下，帮助探索使用LBM的多组分流体的纳米级应用。 （c）2020作者。由elsevier b.v出版。

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  • 来源
    《Journal of computational science》 |2020年第11期|101113.1-101113.7|共7页
  • 作者

    Xue Xiao; Biferale Luca; Sbragaglia Mauro; Toschi Federico;

  • 作者单位

    Univ Roma Tor Vergata Dept Phys Via Ric Sci 1 I-00133 Rome Italy|Univ Roma Tor Vergata INFN Via Ric Sci 1 I-00133 Rome Italy|Eindhoven Univ Technol Dept Phys NL-5600 MB Eindhoven Netherlands|Eindhoven Univ Technol JM Burgersctr NL-5600 MB Eindhoven Netherlands;

    Univ Roma Tor Vergata Dept Phys Via Ric Sci 1 I-00133 Rome Italy|Univ Roma Tor Vergata INFN Via Ric Sci 1 I-00133 Rome Italy;

    Univ Roma Tor Vergata Dept Phys Via Ric Sci 1 I-00133 Rome Italy|Univ Roma Tor Vergata INFN Via Ric Sci 1 I-00133 Rome Italy;

    Eindhoven Univ Technol Dept Phys NL-5600 MB Eindhoven Netherlands|Eindhoven Univ Technol JM Burgersctr NL-5600 MB Eindhoven Netherlands|Eindhoven Univ Technol Dept Math & Comp Sci NL-5600 MB Eindhoven Netherlands|CNR Ist Applicaz Calcolo Via Taurini 19 I-00185 Rome Italy;

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  • 正文语种 eng
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  • 关键词

    Brownian Diffusion; Finite-size particle; Fluctuating lattice Boltzmann methods; Multicomponent fluids;

    机译：布朗扩散;有限尺寸的粒子;波动晶格玻璃板方法;多组分液体;

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