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A scalable method to model large suspensions of colloidal phoretic particles with arbitrary shapes

Journal of Computational Physics 2024 6 citations ? Citation count from OpenAlex, updated daily. May differ slightly from the publisher's own count. Score: 45 ? 0–100 AI score estimating relevance to the microplastics field. Papers below 30 are filtered from public browse.
Blaise Delmotte Florencio Balboa Usabiaga, Blaise Delmotte

Summary

Researchers developed a computationally efficient framework for simulating large numbers of self-propelling microscopic particles that move via chemical gradients, enabling more realistic modeling of collective behavior in synthetic micro-swimmers — relevant for designing drug delivery systems and understanding microorganism movement.

Phoretic colloids self-propel thanks to surface flows generated in response to surface gradients (thermal, electrical, or chemical), that are self-induced and/or generated by other particles. Here we present a scalable and versatile framework to model chemical and hydrodynamic interactions in large suspensions of arbitrarily shaped phoretic particles, accounting for thermal fluctuations at all Damkholer numbers. Our approach, inspired by the Boundary Element Method (BEM), employs second-layer formulations, regularised kernels and a grid optimisation strategy to solve the coupled Laplace-Stokes equations with reasonable accuracy at a fraction of the computational cost associated with BEM. As demonstrated by our large-scale simulations, the capabilities of our method enable the exploration of new physical phenomena that, to our knowledge, have not been previously addressed by numerical simulations.

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