Title: 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 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)more » 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

Authors:

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

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+ Show Author Affiliations

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

Publication Date:

Mon Sep 28 00:00:00 EDT 2015

Research Org.:

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

Sponsoring Org.:

USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:

1250854

Alternate Identifier(s):

OSTI ID: 1237471; OSTI ID: 1327432

Report Number(s):

PNNL-SA-109346; SAND-2015-2644J
Journal ID: ISSN 0309-1708; PII: S0309170815002225

Grant/Contract Number:  

AC05-76RL01830; AC04-94AL85000; AC02-05CH11231; SC0001114

Resource Type:

Accepted Manuscript

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:

97 MATHEMATICS AND COMPUTING; 42 ENGINEERING; pore-scale modeling; porous media flow; computational fluid dynamics; Lattice Boltzmann method; smoothed particle hydrodynamics; pore-network model; lattice Boltzmann method