Random walk particle tracking simulation on scalar diffusion with irreversible first-order absorption boundaries.

Scalar transport in an open channel with irreversible first-order absorption boundaries is investigated through random walk particle tracking method (RWPT). We provide the pre-asymptotic behavior of scalar transport as well as a comparison with existing asymptotic formulations. The RWPT method is based on the development of the probability that a particle is absorbed at the boundary. The random walk model is applied to simulate three main parameters of the scalar transport in the laminar flow with sorption boundaries. The three parameters are (1) the attenuation coefficient reflecting the depletion rate of the total mass; (2) the effective velocity coefficient representing the effective advection of the total mass; and (3) the effective longitudinal dispersion coefficient expressing the effective spreading rate of the solute plume. When the Peclet number is large, numerical results agree well with previous theoretical solutions. Results show that (1) the three coefficients reach their asymptotic values when the dimensionless time τ (= Dt/H²) is about 0.5, where t is the time, H is the water depth, and D is the molecular diffusion coefficient and (2) when the Damkohler number reaches a value around 100, the boundary can be treated as a totally absorptive boundary. [ABSTRACT FROM AUTHOR]