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Code from Dorchester et al. (2023): Evaluation of Dual Domain Mass Transfer in Porous Media at the Pore Scale


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Created: Jun 24, 2022 at 3:34 p.m.
Last updated: Jun 08, 2023 at 4:20 a.m.
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Abstract

Dual-porosity models are often used to describe solute transport in heterogeneous media, but the parameters within these models (e.g., immobile porosity and mobile/immobile exchange rate coefficients) are difficult to identify experimentally or relate to measurable quantities. Here, we performed synthetic, pore-scale millifluidics simulations that coupled fluid flow, solute transport, and electrical resistivity (ER). A conductive-tracer test and the associated geoelectrical signatures were simulated for four flow rates in two distinct pore-scale model scenarios: one with intergranular porosity, and a second with an intragranular porosity also defined. With these models, we explore how the effective characteristic-length scale estimated from a best-fit dual domain mass transfer (DDMT) model compares to geometric aspects of the flow field. In both model scenarios we find that: (1) mobile domains and immobile domains develop even in a system that is explicitly defined with one domain; (2) the ratio of immobile to mobile porosity is larger at faster flow rates as is the mass-transfer rate; and (3) a comparison of length scales associated with the mass-transfer rate (Lα) and those associated with calculation of the Peclet number (LPe) show LPe is commonly larger than Lα. These results suggest that estimated immobile porosities from a DDMT model are not only a function of physically mobile or immobile pore space, but also are a function of the average linear pore-water velocity and physical obstructions to flow, which can drive the development of immobile porosity even in single-porosity domains.

Subject Keywords

Coverage

Spatial

Coordinate System/Geographic Projection:
WGS 84 EPSG:4326
Coordinate Units:
Decimal degrees
Longitude
-105.2223°
Latitude
39.7504°

Content

README.txt

Title: Evaluation of Dual Domain Mass Transfer in Porous Media at the Pore Scale
By: C. Leland Dorchester, III
Advised by: Dr. Kamini Singha
Last Edited: June 1, 2023

This CUAHSI Hydroshare Resource is published with the intent of maintaining data availability and transparency in the hydrologic sciences.

Published within this resource, the user will find two COMSOL model files labelled "ImpermeableGrains_CUAHSI.mph" and "PermeableGrains_CUAHSI.mph", and the MATLAB code to perform the peclet analysis. 

The COMSOL model files serve as the "base case" scenario in the modelling work for Dorchester, et al (in review). Because the model files are large, we have only published the model scenarios at an intermediate hydrologic boundary condition, such that the inlet boundary condition for simulating fluid flow is defined as 0.01 Pa. It should be noted that four boundary conditions were assessed for each model scenario, totaling eight simulations. If the user desires to recreate this work, all eight model files can be re-created by the following steps:

For the IMPERMEABLE grains scenario:
-in the model builder tree, click the drop-down node for "Creeping Flow"
-click "Inlet 1_Left"
-in the settings window, scroll down to the "Pressure Conditions" tab
-define the desired inlet pressure in the text box labelled "P0". The inlet pressures defined in this study were 0.001, 0.01, 0.1, and 1.0 Pa.
-save an individual model file for each inlet pressure boundary condition that is defined.

For the PERMEABLE grains scenario:
-in the model builder tree, click the drop-down node for "Free and Porous Media Flow"
-click "Inlet 1"
-in the settings window, scroll down to the "Pressure Conditions" tab
-define the desired inlet pressure in the text box labelled "P0". The inlet pressures defined in this study were 0.001, 0.01, 0.1, and 1.0 Pa.
-save an individual model file for each inlet pressure boundary condition that is defined.

Additionally, there is a zipped project folder titled "PecletAnalysisCUAHSI". This project folder includes all of the MATLAB scripts and COMSOL data files that are needed to recreate the peclet analysis as described in Dorchester, et al (in review). The user will find a matlab script titled "PecletAnalysisCUAHSI.m", which reads the associated velocity distribution files from their respective sub-folders. Please note, the user will need to change the filepath assignments at the beginning of the run. Following this step, the file is ready for the user to use.


References:
C. L. Dorchester, F. D. Day-Lewis, K. Singha, (2023). Evaluation of Dual Domain Mass Transfer in Porous Media at the Pore Scale. Groundwater DOI: 10.1111/gwat.13328

Related Resources

This resource is described by Dorchester, C., Day-Lewis, F.D., and Singha, K. (2023). Evaluation of dual-domain mass transfer in porous media at the pore scale. Groundwater DOI: 10.1111/gwat.13328

Credits

Funding Agencies

This resource was created using funding from the following sources:
Agency Name Award Title Award Number
National Science Foundation EAR-2012730

Contributors

People or Organizations that contributed technically, materially, financially, or provided general support for the creation of the resource's content but are not considered authors.

Name Organization Address Phone Author Identifiers
Fred Day-Lewis Pacific Northwest National Lab

How to Cite

Dorchester, L., K. Singha (2023). Code from Dorchester et al. (2023): Evaluation of Dual Domain Mass Transfer in Porous Media at the Pore Scale, HydroShare, http://www.hydroshare.org/resource/c47091e0f7ea4d4793316100d05eb6d2

This resource is shared under the Creative Commons Attribution-NoCommercial CC BY-NC.

http://creativecommons.org/licenses/by-nc/4.0/
CC-BY-NC

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