Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

Lattice Boltzmann based multicomponent reactive transport model coupled with geochemical solver for scale simulations

Patel, R.A.
Perko, J.
Jaques, D.
De Schutter, G.
Ye, G.
Van Breugel, K.

Civil Engineering and Geosciences

Structural Engineering

2013-06-17

A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the well-established geochemical reaction code PHREEQC which solves for thermodynamic equilibrium in mixed aqueous-solid phase system with homogenous and heterogeneous reactions. This coupling enables us to update solid phases volumes based on dissolution or precipitation using static update rules which, on pore scale, affects the change of potentially pore network geometry. Unlike conventional approach, heterogeneous reactions are conceptualized as volumetric reactions by introducing additional source term in the fluid node next to solid node, and not as flux boundaries. To demonstrate the validity of this approach several examples are presented in this paper.

Lattice Boltzmann Method
reactive transport
pore scale modelling
geochemistry
PHREEQC coupling

http://resolver.tudelft.nl/uuid:3f658aa9-6cf9-4a60-9a6f-41b77213d88b

CIMNE

978-84-941407-6-1

Coupled Problems 2013: Proceedings of the 5th International Conference on Computational Methods for Coupled Problems in Science and Engineering, Ibiza, Spain, 17-19 June 2013

Institutional Repository

conference paper

(c) 2013 The Author(s)