**Deviations From Classical Hydrodynamic Theory in Highly Confined Planar Poiseuille Flow of a Polymer Solution**

Menzel Adrian 1, Daivis Peter 1, Todd Billy 2

1 School of Science and Centre for Molecular and Nanoscale Physics RMIT University, GPO Box 2476, Melbourne, Victoria, 3001, Australia

E-mail: adrian.menzel@rmit.edu.au, peter.daivis@rmit.edu.au2 Department of Mathematics, Faculty of Science, Engineering and Technology

Swinburne University of Technology, P.O. Box 218, Hawthorn, Victoria, 3112, Australia

E-mail: btodd@swin.edu.au

### Received:

Received: 01 March 2017; revised: 28 March 2017; accepted: 28 March 2017; published online: 10 September 2017

### DOI: 10.12921/cmst.2017.0000016

### Abstract:

The behaviour of polymer solutions in highly confined geometries remains a subject of interest in rheology and fluid dynamics. In this paper, we investigate how well the classical hydrodynamic description based on the Navier-Stokes equations, Fourier’s Law and Fick’s Law describes the flow of a highly confined polymer solution. In particular, we examine the effects of depletion of polymer concentration at the wall-fluid interface and strain rate coupling to the heat flux. We present data from molecular dynamics simulations of a model polymer solution in explicit solvent undergoing planar Poiseuille flow for channel widths ranging from around 10 solvent atomic diameters to around 80 solvent atomic diameters. We find that the classical continuum approach works very well for channels wider than 20 solvent atomic diameters. For narrower channels, we observe deviations in the velocity, temperature and concentration profiles due to density oscillations near the walls, the polymer depletion effect, and possible weak strain rate coupling. For the narrowest channel, the wall effects extend to the centre of the channel but the underlying profiles are quite well described by the classical continuum picture. By allowing very long times of order 104 reduced time units for relaxation to the steady state and averaging over very long runs of order 105 reduced time units and 16 independent ensemble members, we are able to conclude that previously reported deviations from the classical continuum predictions (I.K. Snook, P.J. Daivis, T. Kairn, J. Physics-Condensed Matter 20, 404211 (2008)) were probably the result of insufficient equilibration time. Our results are also sufficiently accurate and precise to verify the expected quartic temperature profile predicted by classical hydrodynamic theory, with only a very small deviation which we can attribute to nonlinear coupling of the heat flux vector to the strain rate.

### Key words:

channel, molecular dynamics, Poiseuille flow, polymer, temperature, velocity

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