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

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

doi:10.1016/j.advwatres.2015.09.015

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

Journal Article · Mon Sep 28 00:00:00 EDT 2015 · Advances in Water Resources

DOI:https://doi.org/10.1016/j.advwatres.2015.09.015· OSTI ID:1237471

Mehmani, Yashar ^[1]; Schoenherr, Martin ^[2]; Pasquali, Andrea ^[2]; Perkins, William A. ^[3]; Kim, Kyungjoo ^[4]; Perego, Mauro ^[4]; Parks, Michael L. ^[4]; Balhoff, Matthew T. ^[5]; Richmond, Marshall C. ^[3]; Geier, Martin ^[2]; Krafczyk, Manfred ^[2]; Luo, Li -Shi ^[6]; Tartakovsky, Alexandre M. ^[3]; Yang, Xiaofan ^[3]; Scheibe, Timothy D. ^[3]; Trask, Nathaniel ^[7]

Stanford Univ., Stanford, CA (United States)
Technische Univ. Braunschweig, Braunschweig (Germany)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Univ. of Texas, Austin, TX (United States)
Old Dominion Univ., Norfolk, VA (United States); Beijing Computational Science Research Center, Beijing (China)
Brown Univ., Providence, RI (United States)

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 on 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.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Frontiers of Subsurface Energy Security (CFSES); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Univ. of Texas, Austin, TX (United States)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)

Grant/Contract Number:: AC02-05CH11231; AC04-94AL85000; AC05-76RL01830; AC06-76RL01830; SC0001114

OSTI ID:: 1237471

Alternate ID(s):: OSTI ID: 1327432
OSTI ID: 1356517
OSTI ID: 1250854

Report Number(s):: PNNL-SA--109346; SAND--2015-2644J; 581982

Journal Information:: Advances in Water Resources, Journal Name: Advances in Water Resources Vol. 95; ISSN 0309-1708

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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

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