Keywords: multicomponent reactive transport, operator splitting, PCA, probabilistic cellular automaton, PCE transport, convergent reactions, subsurface media
Coupling of a Probabilistic Cellular Automaton and a stochastic algorithm for a reactive transport simulation in subsurface media
The Operator Splitting scheme is a favourite and approved method for simulating multi component reactive transport systems. This scheme can easily be applied to the situation where large time scale differences between the transport and reaction steps exist. In the current work, different schemes of coupling such as Cellular Automaton and Gillespie Algorithm, and Finite Difference & Ordinary Differential Equation are studied. The verification and validation of the coupling schemes are done by applying these schemes to simulate one dimensional contaminant transport system with single decay, convergent reactions and double Monod kinetic reaction and comparing the results with analytical solutions.