Article Dans Une Revue The Journal of Chemical Physics Année : 2020

Studying polymer diffusiophoresis with non-equilibrium molecular dynamics

S. Ramírez-Hinestrosa
  • Fonction : Auteur
H. Yoshida
  • Fonction : Auteur
Lyderic Bocquet
D. Frenkel
  • Fonction : Auteur

Résumé

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 which 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. a) Electronic mail: df246@cam.ac.uk 1 arXiv:1909.06352v2 [cond-mat.soft] 8 Apr 2020 Studying polymer diffusiophoresis with Non-Equilibrium Molecular Dynamics

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hal-02998820 , version 1 (10-11-2020)

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S. Ramírez-Hinestrosa, H. Yoshida, Lyderic Bocquet, D. Frenkel. Studying polymer diffusiophoresis with non-equilibrium molecular dynamics. The Journal of Chemical Physics, 2020, 152 (16), pp.164901. ⟨10.1063/5.0007235⟩. ⟨hal-02998820⟩
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