Dynamical properties of a confined diatomic fluid undergoing zero mean oscillatory flow: effect of molecular rotation.
In this paper we investigate the spatiotemporal dynamics of a diatomic fluid undergoing zero mean oscillatory flow in a slit pore. The study is based on nonequilibrium molecular dynamics simulations together with two limiting solutions to the Navier-Stokes equations which include the effect of molecular rotation. By examining the viscoelastic properties of the system we can estimate the extent of the Newtonian regime, and a direct comparison between the molecular dynamics data and the solutions to the Navier-Stokes equations is then possible. It is found that the agreement is excellent, and that the vortex viscosity can be estimated by fitting the data obtained in the molecular dynamics simulations to the solutions to the Navier-Stokes equations. The quantitative effect of the coupling between the linear momentum and the spin angular momentum on flow is also investigated. We find that the maximum flow can be reduced up to 3-4 % due to the coupling.
Hansen
J S
JS
Centre for Molecular Simulation, Swinburne University of Technology, P.O. Box 218, Hawthorn, Victoria 3122, Australia. jhansen@ict.swin.edu.au
Todd
B D
BD
Daivis
Peter J
PJ