Multiscale Modeling of Sorption Kinetics

In this paper, we propose and validate a multiscale model for the description of particle diffusion in presence trapping boundaries. We start from drift-diffusion equation which drift term describes effect bubble traps is modeled by short-range potential with an attractive repulsive core. The interaction particles attracted surface simulated Lennard–Jones that simplifies capture due to hydrophobic properties ions. our model, replaced suitable boundary condition derived mass conservation asymptotic analysis. assumed have range small size . An expansion considered, conditions are obtained retaining lowest-order terms expansion. Another aspect investigate saturation coming high concentrations proximity surface. validity carefully checked several tests one two dimensions different geometries.