# Intercomparison of 3D pore-scale flow and solute transport simulation methods

## Abstract

Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB), lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare themore »

- Authors:

- Publication Date:

- Research Org.:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

- Sponsoring Org.:
- USDOE

- OSTI Identifier:
- 1356517

- Report Number(s):
- PNNL-SA-109346

Journal ID: ISSN 0309-1708; KP1702030; KJ0401000

- DOE Contract Number:
- AC05-76RL01830

- Resource Type:
- Journal Article

- Journal Name:
- Advances in Water Resources

- Additional Journal Information:
- Journal Volume: 95; Journal ID: ISSN 0309-1708

- Publisher:
- Elsevier

- Country of Publication:
- United States

- Language:
- English

- Subject:
- Pore-scale modeling; porous media flow; validation; computational fluid dynamics; lattice Boltzmann method; pore-network method; immersed-boundary method

### Citation Formats

```
Yang, Xiaofan, Mehmani, Yashar, Perkins, William A., Pasquali, Andrea, Schönherr, Martin, Kim, Kyungjoo, Perego, Mauro, Parks, Michael L., Trask, Nathaniel, Balhoff, Matthew T., Richmond, Marshall C., Geier, Martin, Krafczyk, Manfred, Luo, Li-Shi, Tartakovsky, Alexandre M., and Scheibe, Timothy D.
```*Intercomparison of 3D pore-scale flow and solute transport simulation methods*. United States: N. p., 2016.
Web. doi:10.1016/j.advwatres.2015.09.015.

```
Yang, Xiaofan, Mehmani, Yashar, Perkins, William A., Pasquali, Andrea, Schönherr, Martin, Kim, Kyungjoo, Perego, Mauro, Parks, Michael L., Trask, Nathaniel, Balhoff, Matthew T., Richmond, Marshall C., Geier, Martin, Krafczyk, Manfred, Luo, Li-Shi, Tartakovsky, Alexandre M., & Scheibe, Timothy D.
```*Intercomparison of 3D pore-scale flow and solute transport simulation methods*. United States. doi:10.1016/j.advwatres.2015.09.015.

```
Yang, Xiaofan, Mehmani, Yashar, Perkins, William A., Pasquali, Andrea, Schönherr, Martin, Kim, Kyungjoo, Perego, Mauro, Parks, Michael L., Trask, Nathaniel, Balhoff, Matthew T., Richmond, Marshall C., Geier, Martin, Krafczyk, Manfred, Luo, Li-Shi, Tartakovsky, Alexandre M., and Scheibe, Timothy D. Thu .
"Intercomparison of 3D pore-scale flow and solute transport simulation methods". United States. doi:10.1016/j.advwatres.2015.09.015.
```

```
@article{osti_1356517,
```

title = {Intercomparison of 3D pore-scale flow and solute transport simulation methods},

author = {Yang, Xiaofan and Mehmani, Yashar and Perkins, William A. and Pasquali, Andrea and Schönherr, Martin and Kim, Kyungjoo and Perego, Mauro and Parks, Michael L. and Trask, Nathaniel and Balhoff, Matthew T. and Richmond, Marshall C. and Geier, Martin and Krafczyk, Manfred and Luo, Li-Shi and Tartakovsky, Alexandre M. and Scheibe, Timothy D.},

abstractNote = {Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include methods that 1) explicitly model the three-dimensional geometry of pore spaces and 2) those that conceptualize the pore space as a topologically consistent set of stylized pore bodies and pore throats. In previous work we validated a model of class 1, based on direct numerical simulation using computational fluid dynamics (CFD) codes, against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of class 1 based on the immersed-boundary method (IMB), lattice Boltzmann method (LBM), smoothed particle hydrodynamics (SPH), as well as a model of class 2 (a pore-network model or PNM). The PNM approach used in the current study was recently improved and demonstrated to accurately simulate solute transport in a two-dimensional experiment. While the PNM approach is computationally much less demanding than direct numerical simulation methods, the effect of conceptualizing complex three-dimensional pore geometries on solute transport in the manner of PNMs has not been fully determined. We apply all four approaches (CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and nonreactive solute transport, and intercompare the model results with previously reported experimental observations. Experimental observations are limited to measured pore-scale velocities, so solute transport comparisons are made only among the various models. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations).},

doi = {10.1016/j.advwatres.2015.09.015},

journal = {Advances in Water Resources},

issn = {0309-1708},

number = ,

volume = 95,

place = {United States},

year = {2016},

month = {9}

}