Artículo
A dynamic density functional theory for particles in a flowing solvent
Autor/es | Rauscher, Markus
Domínguez Álvarez, Álvaro Krüger, Matthias Penna, Florencia |
Coordinador/Director | Rauscher, Markus |
Departamento | Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear |
Fecha de publicación | 2007-12 |
Fecha de depósito | 2020-04-27 |
Publicado en |
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Resumen | 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 ... 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. |
Agencias financiadoras | Deutsche Forschungsgemeinschaft / German Research Foundation (DFG) |
Identificador del proyecto | RA 1061/2-1 |
Cita | Rauscher, M., Domínguez Álvarez, Á., Krüger, M. y Penna, F. (2007). A dynamic density functional theory for particles in a flowing solvent. The Journal of Chemical Physics, 127 (24), 10.1063. |
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