title: Modeling the coupling of reaction kinetics and hydrodynamics in a collapsing cavity.
abstract: We introduce a model of cavitation based on the multiphase Lattice Boltzmann method (LBM) that allows for coupling between the hydrodynamics of a collapsing cavity and supported solute chemical species. We demonstrate that this model can also be coupled to deterministic or stochastic chemical reactions. In a two-species model of chemical reactions (with a major and a minor species), the major difference observed between the deterministic and stochastic reactions takes the form of random fluctuations in concentration of the minor species. We demonstrate that advection associated with the hydrodynamics of a collapsing cavity leads to highly inhomogeneous concentration of solutes. In turn these inhomogeneities in concentration may lead to significant increase in concentration-dependent reaction rates and can result in a local enhancement in the production of minor species.
authors.affiliation: Department of Mechanical and Aerospace Engineering, University of California, Irvine, CA 92697, USA. mishras@uci.edu
authors.forename: Sudib K
authors.initials: SK
authors.lastname: Mishra
authors.forename: P A
authors.initials: PA
authors.lastname: Deymier
authors.forename: Krishna
authors.initials: K
authors.lastname: Muralidharan
authors.forename: G
authors.initials: G
authors.lastname: Frantziskonis
authors.forename: Sreekanth
authors.initials: S
authors.lastname: Pannala
authors.forename: Srdjan
authors.initials: S
authors.lastname: Simunovic
mesh_terms: D003198:Computer Simulation; D007700:Kinetics; D008956:Models, Chemical; D013010:Sonication / Q000379:methods*