A dynamic density functional theory for particles in a flowing solvent

作者：Rauscher Markus^*; Dominguez Alvaro; Krueger Matthias; Penna Florencia

来源：Journal of Chemical Physics, 2007, 127(24): 244906.

DOI：10.1063/1.2806094

We present a dynamic density functional theory (dDFT) which takes into account the advection of the particles by a flowing solvent. For potential flows, we can use the same closure as in the absence of solvent flow. The structure of the resulting advected dDFT suggests that it could be used for nonpotential flows as well. We apply this dDFT to Brownian particles (e.g., polymer coils) in a solvent flowing around a spherical obstacle (e.g., a colloid) and compare the results with direct simulations of the underlying Brownian dynamics. Although numerical limitations do not allow for an accurate quantitative check of the advected dDFT both show the same qualitative features. In contrast to previous works which neglected the deformation of the flow by the obstacle, we find that the bow wave in the density distribution of particles in front of the obstacle as well as the wake behind it are reduced dramatically. As a consequence, the friction force exerted by the (polymer) particles on the colloid can be reduced drastically.

• 出版日期2007-12-28
• 单位中国科学院金属研究所