Stochastic Simulation Method for Reactive Microfluids under Thermal Fluctuations
One of the essential components needed for realistic simulation of microfluids is the inclusion of thermal fluctuations. Our approach, fluctuating hydrodynamics (FHD), adds fluctuations by incorporating random fluxes into diffusion processes. While this description dates back to Landau and Lifshitz, developing general formulations and corresponding numerical schemes beyond the linear approximation of weak fluctuations has been attempted only recently. Accurately modeling fluctuations is even more crucial for simulating a reactive microfluid due to the relatively small population of reactant chemical species and the Poisson character of reactions. In the first part of the presentation, I present a newly developed simulation method, which is designed to have good performance in the large Schmidt number regime (e.g. aqueous solutions). In the second part, using a simpler reaction-diffusion problem, I discuss how a FHD-based scheme is systematically constructed and analyzed. In the last part, I briefly discuss how the FHD approach can be justified from the microscopic viewpoint using molecular dynamics simulations.