A dynamic density functional theory for particles in a flowing solvent

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2007
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Rauscher, Markus
Domínguez, Alvaro
Penna, Florencia
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The Journal of Chemical Physics. American Institute of Physics (AIP). 2007, 127(24), 244906. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.2806094
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We present a dynamic density functional theory (dDFT) which takes into accou nt 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 non-potential 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.

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ISO 690RAUSCHER, Markus, Alvaro DOMÍNGUEZ, Matthias KRÜGER, Florencia PENNA, 2007. A dynamic density functional theory for particles in a flowing solvent. In: The Journal of Chemical Physics. American Institute of Physics (AIP). 2007, 127(24), 244906. ISSN 0021-9606. eISSN 1089-7690. Available under: doi: 10.1063/1.2806094
BibTex
@article{Rauscher2007dynam-59928,
  year={2007},
  doi={10.1063/1.2806094},
  title={A dynamic density functional theory for particles in a flowing solvent},
  number={24},
  volume={127},
  issn={0021-9606},
  journal={The Journal of Chemical Physics},
  author={Rauscher, Markus and Domínguez, Alvaro and Krüger, Matthias and Penna, Florencia},
  note={Article Number: 244906}
}
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