Title: Coupling of a Probabilistic Cellular Automaton and a stochastic algorithm for a reactive transport simulation in subsurface media

Authors: Palanichamy Jegathambal, Holger Schuttrumpf, Jurgen Kongeter, Torsten Rose, Sankaralingam Mohan, Palani Sundarambal

Addresses: Institute of Hydraulic Engineering and Water Resources Management, RWTH Aachen University, 52056 Aachen, Germany; Water Institute, Karunya University, Coimbatore 641114, Tamil Nadu, India. ' Institute of Hydraulic Engineering and Water Resources Management, RWTH Aachen University, 52056 Aachen, Germany; Water Institute, Karunya University, Coimbatore 641114, Tamil Nadu, India. ' Institute of Hydraulic Engineering and Water Resources Management, RWTH Aachen University, 52056 Aachen, Germany; Water Institute, Karunya University, Coimbatore 641114, Tamil Nadu, India. ' Institute of Hydraulic Engineering and Water Resources Management, RWTH Aachen University, 52056 Aachen, Germany; Water Institute, Karunya University, Coimbatore 641114, Tamil Nadu, India. ' Department of Civil Engineering, Environmental and Water Resources Division, Indian Institute of Technology, Chennai 600036, Tamil Nadu, India. ' Tropical Marine Science Institute, National University of Singapore 119223, Singapore

Abstract: 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.

Keywords: multicomponent reactive transport; operator splitting; PCA; probabilistic cellular automaton; PCE transport; convergent reactions; subsurface media.

DOI: 10.1504/IJEE.2011.041360

International Journal of Environmental Engineering, 2011 Vol.3 No.3/4, pp.394 - 409

Published online: 20 Jul 2011 *

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