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Studying polymer diffusiophoresis with non-equilibrium molecular dynamics.

Accepted version
Peer-reviewed

Type

Article

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Authors

Ramírez-Hinestrosa, S 
Yoshida, H 
Bocquet, L 

Abstract

We report a numerical study of the diffusiophoresis of short polymers using non-equilibrium molecular dynamics simulations. More precisely, we consider polymer chains in a fluid containing a solute that has a concentration gradient and examine the variation of the induced diffusiophoretic velocity of the polymer chains as the interaction between the monomer and the solute is varied. We find that there is a non-monotonic relation between the diffusiophoretic mobility and the strength of the monomer-solute interaction. In addition, we find a weak dependence of the mobility on the length of the polymer chain, which shows clear difference from the diffusiophoresis of a solid particle. Interestingly, the hydrodynamic flow through the polymer is much less screened than for pressure driven flows.

Description

Keywords

cond-mat.soft, cond-mat.soft, cond-mat.mes-hall, physics.chem-ph, physics.comp-ph

Journal Title

J Chem Phys

Conference Name

Journal ISSN

0021-9606
1089-7690

Volume Title

152

Publisher

AIP Publishing

Rights

All rights reserved
Sponsorship
European Commission Horizon 2020 (H2020) Marie Sk?odowska-Curie actions (674979)
European Commission Horizon 2020 (H2020) Future and Emerging Technologies (FET) (766972)
European Union Grant No. 674979 Horizon 2020 program through 766972-FET-OPEN- NANOPHLOW.