Effect of Shear Flow on Nanoparticles Migration near Liquid Interfaces.

ABSTRACT

The effect of shear flow on spherical nanoparticles (NPs) migration near a liquid-liquid interface is studied by numerical simulation. We have implemented a compact model through which we use the diffuse interface method for modeling the two fluids and the molecular dynamics method for the simulation of the motion of NPs. Two different cases regarding the state of the two fluids when introducing the NPs are investigated. First, we introduce the NPs randomly into the medium of the two immiscible liquids that are already separated, and the interface is formed between them. For this case, it is shown that before applying any shear flow, 30% of NPs are driven to the interface under the effect of the drag force resulting from the composition gradient between the two fluids at the interface. However, this percentage is increased to reach 66% under the effect of shear defined by a Péclet number Pe = 0.316. In this study, different shear rates are investigated in addition to different shearing times, and we show that both factors have a crucial effect regarding the migration of the NPs toward the interfacial region. In particular, a small shear rate applied for a long time will have approximately the same effect as a greater shear rate applied for a shorter time. In the second studied case, we introduce the NPs into the mixture of two fluids that are already mixed and before phase separation so that the NPs are introduced into the homogenous medium of the two fluids. For this case, we show that in the absence of shear, almost all NPs migrate to the interface during phase separation, whereas shearing has a negative result, mainly because it affects the phase separation.