无序介质中纳米流的格子Boltzmann和分子动力学联合研究
Nanoflows through disordered media: a joint Lattice Boltzmann and Molecular Dynamics investigation
摘要：
我们调查nanoflow通过稀释无序介质的联合格子玻尔兹曼（LB）和分子动力学（MD）模拟-当障碍物的大小是可比的流动颗粒的大小-随机定位的球体和相关的颗粒凝胶。在两种情况下，在足够低的固体分数下，$Φ<0.01$、LB和MD提供相似的渗透率值。然而，对于$Φ> 0.01$，MD表明，分子尺寸效应导致的渗透性降低，相比的Navier-Stokes预测。对于凝胶，模拟突出了过剩的渗透性，这可以容纳在凝胶单体的有效半径的重新缩放。
英文摘要：
We investigate nanoflows through dilute disordered media by means of joint lattice Boltzmann (LB) and molecular dynamics (MD) simulations -- when the size of the obstacles is comparable to the size of the flowing particles -- for randomly located spheres and for a correlated particle-gel. In both cases at sufficiently low solid fraction, $Φ<0.01$, LB and MD provide similar values of the permeability. However, for $Φ> 0.01$, MD shows that molecular size effects lead to a decrease of the permeability, as compared to the Navier-Stokes predictions. For gels, the simulations highlights a surplus of permeability, which can be accommodated within a rescaling of the effective radius of the gel monomers.
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