Smoothed particle hydrodynamics techniques for the solution of kinetic theory problems: Part 2. The effect of flow perturbations on the simple shear behavior of LCPs

The effect of slight perturbations to simple shear flow of liquid-crystalline polymers (LCPs) is explored by using the SPH technique to solve the unapproximated orientation distribution function equation arising from the Doi Theory. First, the case of simple shear flow is outlined, and it is shown that skewed distributions play an important role in the transition from periodic to steady behavior as the shear rate is increased. Next, we consider perturbations to flows that are slightly more extensional than simple shear, parametrized by the flow type parameter α. They are shown to eliminate all periodic director behavior (tumbling and wagging), even when the relative increment in flow type is small. At lower shear rates (or more properly, lower Peclet number Pe based upon the rotational diffusivity), the elimination occurs through a homoclinic bifurcation, the transition being rather abrupt as the flow type is changed. At higher Pe, periodic behavior is suppressed more gradually through a Hopf bifurcation, with tumbling being replaced by wagging and negative θ flow-aligning, where θ is the angle of the director in the shear plane. The effect of these perturbations on rheological behavior is also explored. As the flow is made slightly more extensional, the zero-shear rate limiting value of the generalized viscosity η decreases dramatically, due to the slowing down of tumbling as the system approaches a homoclinic orbit; as Pe is increased, the viscosity rises again before falling, due to the induction of wagging behavior where tumbling would normally prevail in simple shear. Finally, it is found when the flow type is changed sufficiently, the interesting, non-monotonic behavior of rheological functions seen in simple shear of LCPs is replaced by monotonic behavior, even though the flow is still relatively close to simple shear.