Author(s): T. Becker
Linked Author(s):
Keywords: Reactive transport; Particle-tracking; Master equation; Stochastic processes
Abstract: A discrete stochastic simulation algorithm for the simulation of coupled reactive transport processes in fractured porous media is introduced. It is based on a master equation approach, which describes the temporal and spatial development of the probability density function of stochastic processes. In contrast to Finite Difference or Finite Element methods, it can take into account sorption kinetics of higher order, high Peclet numbers and high heterogeneity of transport parameters. Compared to Particle-Tracking/Random Walk methods this particle-in-cell-method avoids operator-splitting between non-reactive and reactive transport components. With this algorithm that has been implemented into the program SMART2D there is no need for an external time step as it is automatically adapted to the current state of the reactive transport system. Exemplary results of advective-diffusive verification simulations for the program are presented as well as the results of the application on a heterogeneous diffusion system. These results are additionally used for a comparison between the master equation approach and the Particle-Tracking/Random Walk method.
Year: 2003