Molecular dynamics simulation of phase separating binary liquids in cylindrical Couette flow

The Journal of Chemical Physics
Amol K ThakreW J Briels

Abstract

We use molecular dynamics simulations to study phase separation of a 50:50 (by volume) fluid mixture in a confined and curved (Taylor-Couette) geometry, consisting of two concentric cylinders. The inner cylinder may be rotated to achieve a shear flow. In nonsheared systems we observe that, for all cases under consideration, the final equilibrium state has a stacked structure. Depending on the lowest free energy in the geometry the stack may be either flat, with its normal in the z direction, or curved, with its normal in the r or theta direction. In sheared systems we make several observations. First, when starting from a prearranged stacked structure, we find that sheared gradient and vorticity stacks retain their character for the durations of the simulation, even when another configuration is preferred (as found when starting from a randomly mixed configuration). This slow transition to another configuration is attributed to a large free energy barrier between the two states. In case of stacks with a normal in the gradient direction, we find interesting interfacial waves moving with a prescribed angular velocity in the flow direction. Because such a wave is not observed in simulations with a flat geometry at similar shear ra...Continue Reading

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Mar 21, 2008·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Amol K ThakreW J Briels

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Citations

Aug 7, 2008·The Journal of Chemical Physics·Amol K ThakreW J Briels
Apr 10, 2014·The Journal of Chemical Physics·Chau Tran, Vibha Kalra
Apr 24, 2009·Biomacromolecules·Sophia FranssonAnne-Marie Hermansson
May 11, 2011·Biomacromolecules·Camilla OhgrenAnne-Marie Hermansson

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