Interpolated lattice Boltzmann boundary conditions for surface reaction kinetics

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

Phys. Rev. E 82, 066703 – Published 9 December 2010

Abstract

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.

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Received 3 May 2010

DOI:https://doi.org/10.1103/PhysRevE.82.066703

Authors & Affiliations

S. D. C. Walsh^*

Department of Geology and Geophysics, University of Minnesota–Twin Cities, Minnesota 55455, USA and School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, New York 14853, USA

M. O. Saar^†

Department of Geology and Geophysics, University of Minnesota–Twin Cities, Minnesota 55455, USA

^*sdcwalsh@umn.edu
^†saar@umn.edu

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Vol. 82, Iss. 6 — December 2010

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Physical Review E

covering statistical, nonlinear, biological, and soft matter physics