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Dynamical density functional theory for the evaporation of droplets of nanoparticle suspension

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posted on 2017-12-15, 13:24 authored by Christopher Chalmers, Roger Smith, Andrew ArcherAndrew Archer
We develop a lattice gas model for the drying of droplets of a nanoparticle suspension on a planar surface, using dynamical density functional theory (DDFT) to describe the time evolution of the solvent and nanoparticle density profiles. The DDFT assumes a diffusive dynamics but does not include the advective hydrodynamics of the solvent, so the model is relevant to highly viscous or near to equilibrium systems. Nonetheless, we see an equivalent of the coffee-ring stain effect, but in the present model it occurs for thermodynamic rather the fluid-mechanical reasons. The model incorporates the effect of phase separation and vertical density variations within the droplet and the consequence of these on the nanoparticle deposition pattern on the surface. We show how to include the effect of slip or no-slip at the surface and how this is related to the receding contact angle. We also determine how the equilibrium contact angle depends on the microscopic interaction parameters.

History

School

  • Science

Department

  • Mathematical Sciences

Published in

Langmuir

Volume

33

Issue

50

Pages

14490 - 14501

Citation

CHALMERS, C., SMITH, R. and ARCHER, A.J., 2017. Dynamical density functional theory for the evaporation of droplets of nanoparticle suspension. Langmuir, 33(50), pp. 14490-14501.

Publisher

© American Chemical Society

Version

  • AM (Accepted Manuscript)

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/

Acceptance date

2017-11-20

Publication date

2017-11-20

Notes

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Langmuir, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.7b03096.

ISSN

0743-7463

eISSN

1520-5827

Language

  • en

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