skip to main content


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

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
 [1] ;  [2] ;  [2] ;  [3] ;  [4] ;  [4] ;  [4] ;  [5] ;  [3] ;  [2] ;  [2] ;  [6] ;  [3] ;  [3] ;  [3] ;  [7]
  1. Stanford Univ., Stanford, CA (United States)
  2. Technische Univ. Braunschweig, Braunschweig (Germany)
  3. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  4. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  5. Univ. of Texas, Austin, TX (United States)
  6. Old Dominion Univ., Norfolk, VA (United States); Beijing Computational Science Research Center, Beijing (China)
  7. Brown Univ., Providence, RI (United States)
Publication Date:
Report Number(s):
SAND-2015-2644J; PNNL-SA-109346
Journal ID: ISSN 0309-1708; 581982
Grant/Contract Number:
AC04-94AL85000; AC05-76RL01830; AC02-05CH11231; SC0001114
Accepted Manuscript
Journal Name:
Advances in Water Resources
Additional Journal Information:
Journal Volume: 95; Journal ID: ISSN 0309-1708
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Univ. of Texas, Austin, TX (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
Country of Publication:
United States
42 ENGINEERING; pore-scale modeling; porous media flow; computational fluid dynamics; lattice Boltzmann method; smoothed particle hydrodynamics; pore-network model; 97 MATHEMATICS AND COMPUTING; Lattice Boltzmann method
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1237471; OSTI ID: 1327432