Predictions of Dynamic Changes in Reaction Rates as a
Consequence of Incomplete Mixing Using Pore-scale Reactive Transport
Modeling on Images of Porous Media
Consequence of Incomplete Mixing Using Pore-scale Reactive Transport
Modeling on Images of Porous Media
File(s)1-s2.0-S016977221500087X-main.pdf (1.34 MB)
Published version
Author(s)
Alhashmi, Z
Blunt, MJ
Bijeljic, B
Type
Journal Article
Abstract
We present a pore scale model capable of simulating fluid/fluid reactive transport on images of porous media from first principles. We use a streamline-based particle tracking method for simulating flow and transport, while for reaction to occur, both reactants must be within a diffusive distance of each other during a time-step. We assign a probability of reaction (Pr), as a function of the reaction rate constant (kr) and the diffusion length. Firstly, we validate our model for reaction against analytical solutions for the bimolecular reaction (A + B → C) in a free fluid. Then, we simulate transport and reaction in a beadpack to validate the model through predicting the fluid/fluid reaction experimental results provided by Gramling et al. (2002). Our model accurately predicts the experimental data, as it takes into account the degree of incomplete mixing present at the sub-pore (image voxel) level, in contrast to advection–dispersion–reaction equation (ADRE) model that over-predicts pore scale mixing. Finally, we show how our model can predict dynamic changes in the reaction rate accurately accounting for the local geometry, topology and flow field at the pore scale. We demonstrate the substantial difference between the predicted early-time reaction rate in comparison to the ADRE model.
Date Issued
2015-06-11
Date Acceptance
2015-06-03
Citation
Journal of Contaminant Hydrology, 2015, 179, pp.171-181
ISSN
1873-6009
Publisher
Elsevier
Start Page
171
End Page
181
Journal / Book Title
Journal of Contaminant Hydrology
Volume
179
Copyright Statement
© 2015 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY
license (http://creativecommons.org/licenses/by/4.0/).
license (http://creativecommons.org/licenses/by/4.0/).
License URL
Subjects
Fluid/fluid
Reactive transport
Pore-scale
Micro-CT image
Mixing
Reaction rate
Publication Status
Published