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Dynamical density functional theory: phase separation in a cavity and the influence of symmetry

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posted on 2014-10-02, 14:40 authored by Andrew ArcherAndrew Archer
Consider a fluid composed of two species of particles, where the interparticle pair potentials . On confining an equal number of particles from each species in a cavity, one finds that the average one body density profiles of each species are constrained to be exactly the same due to the symmetry, when both external cavity potentials are the same. For a binary fluid of Brownian particles interacting via repulsive Gaussian pair potentials that exhibits phase separation, we study the dynamics of the fluid one body density profiles on breaking the symmetry of the external potentials, using the dynamical density functional theory of Marconi and Tarazona (1999 J. Chem. Phys. 110 8032). On breaking the symmetry we see that the fluid one body density profiles can then show the phase separation that is present.

Funding

EPSRC grant number GR/S28631/01

History

School

  • Science

Department

  • Mathematical Sciences

Published in

Journal of Physics Condensed Matter

Volume

17

Issue

45

Citation

ARCHER, A., 2005. Dynamical density functional theory: phase separation in a cavity and the influence of symmetry. Journal of Physics Condensed Matter, 17 (45) S3253 doi:10.1088/0953-8984/17/45/009

Publisher

© IOP Publishing

Version

  • SMUR (Submitted Manuscript Under Review)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2005

Notes

This article was published in the Journal of Physics: Condensed Matter [© IOP Publishing] and the definitive version is available at: http://dx.doi.org/10.1088/0953-8984/17/45/009

ISSN

0953-8984

Language

  • en

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