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

Authors:
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ORCiD logo
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Frontiers of Subsurface Energy Security (CFSES)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1386160
DOE Contract Number:
SC0001114
Resource Type:
Journal Article
Resource Relation:
Journal Name: Advances in Water Resources; Journal Volume: 95; Journal Issue: C; Related Information: CFSES partners with University of Texas at Austin (lead); Sandia National Laboratory
Country of Publication:
United States
Language:
English
Subject:
nuclear (including radiation effects), carbon sequestration

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.. 2016. "Intercomparison of 3D pore-scale flow and solute transport simulation methods". United States. doi:10.1016/j.advwatres.2015.09.015.
@article{osti_1386160,
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 = {},
doi = {10.1016/j.advwatres.2015.09.015},
journal = {Advances in Water Resources},
number = C,
volume = 95,
place = {United States},
year = 2016,
month = 9
}
  • Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods 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 the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (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 (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This paper provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.« less
  • Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods 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 the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (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 (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This paper provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.« less
  • 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),more » 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).« less
  • Multiple numerical approaches have been developed to simulate porous media fluid flow and solute transport at the pore scale. These include 1) methods that explicitly model the three-dimensional geometry of pore spaces and 2) methods 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 the first type, using computational fluid dynamics (CFD) codes employing a standard finite volume method (FVM), against magnetic resonance velocimetry (MRV) measurements of pore-scale velocities. Here we expand that validation to include additional models of the first type based onmore » the lattice Boltzmann method (LBM) and smoothed particle hydrodynamics (SPH), as well as a model of the second type, a pore-network model (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 (FVM-based CFD, LBM, SPH and PNM) to simulate pore-scale velocity distributions and (for capable codes) nonreactive solute transport, and intercompare the model results. Comparisons are drawn both in terms of macroscopic variables (e.g., permeability, solute breakthrough curves) and microscopic variables (e.g., local velocities and concentrations). Generally good agreement was achieved among the various approaches, but some differences were observed depending on the model context. The intercomparison work was challenging because of variable capabilities of the codes, and inspired some code enhancements to allow consistent comparison of flow and transport simulations across the full suite of methods. This study provides support for confidence in a variety of pore-scale modeling methods and motivates further development and application of pore-scale simulation methods.« less