- Published 2010 in Physical review. E, Statistical, nonlinear, and…

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.

@article{Walsh2010InterpolatedLB,
title={Interpolated lattice Boltzmann boundary conditions for surface reaction kinetics.},
author={Stuart D. C. Walsh and Martin O. Saar},
journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
year={2010},
volume={82 6 Pt 2},
pages={066703}
}