Interpolated lattice Boltzmann boundary conditions for surface reaction kinetics

S. D.C. Walsh, M. O. Saar

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This paper describes a method for implementing surface reaction kinetics in lattice Boltzmann simulations. The interpolated boundary conditions are capable of simulating surface reactions and dissolution at both stationary and moving solid-fluid and fluid-fluid interfaces. Results obtained with the boundary conditions are compared to analytical solutions for first-order and constant-flux kinetic surface reactions in a one-dimensional half space, as well as to the analytical solution for evaporation from the surface of a cylinder. Excellent agreement between analytical and simulated results is obtained for a wide range of diffusivities, lattice velocities, and surface reaction rates. The boundary model's ability to represent dissolution in binary fluid mixtures is demonstrated by modeling diffusion from a rising bubble and dissolution of a droplet near a flat plate.

Original languageEnglish
Article number066703
Number of pages10
JournalPhysical Review E
Issue number6
Publication statusPublished - 9 Dec 2010
Externally publishedYes

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