We present a new numerical model to simulate settling trajectories of discretized individual or a mixture of particles of different geometrical shapes in a quiescent fluid and their flow trajectories in a flowing fluid. Simulations unveiled diverse particle settling trajectories as a function of their geometrical shape and density. The effects of the surface concavity of a boomerang particle and aspect ratio of a rectangular particle on the periodicity and amplitude of oscillations in their settling trajectories were numerically captured. Use of surrogate circular particles for settling or flowing of a mixture of non-circular particles were shown to miscalculate particle velocities by a factor of 0.9–2.2 and inaccurately determine the particles’ trajectories. In a microfluidic chamber with particles of different shapes and sizes, simulations showed that steady vortices do not necessarily always control particle entrapments, nor do larger particles get selectively and consistently entrapped in steady vortices. Strikingly, a change in the shape of large particles from circular to elliptical resulted in stronger entrapments of smaller circular particles, but enhanced outflows of larger particles, which could be an alternative microfluidics-based method for sorting and separation of particles of different sizes and shapes.

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Recent numerical analyses to optimize the design of microfluidic devices for more effective entrapment or segregation of surrogate circulating tumor cells (CTCs) from healthy cells have been reported in the literature without concurrently accommodating the non-Newtonian nature of the body fluid and the non-uniform geometric shapes of the CTCs. Through a series of two-dimensional proof-of-concept simulations with increased levels of complexity (e.g., number of particles, inline obstacles), we investigated the validity of the assumptions of the Newtonian fluid behavior for pseudoplastic fluids and the circular particle shape for different-shaped particles (DSP) in the context of microfluidics-facilitated shape-based segregation of particles. Simulations with a single DSP revealed that even in the absence of internal geometric complexities of a microfluidics channel, the aforementioned assumptions led to 0.11-0.21W (W is the channel length) errors in lateral displacements of DSPs, up to 3-20% errors in their velocities, and 3-5% errors in their travel times. When these assumptions were applied in simulations involving multiple DSPs in inertial microfluidics with inline obstacles, errors in the lateral displacements of DSPs were as high as 0.78W and in their travel times up to 23%, which led to different (un)symmetric flow and segregation patterns of DSPs. Thus, the fluid type and particle shape should be included in numerical models and experiments to assess the performance of microfluidics for targeted cell (e.g., CTCs) harvesting.

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