skip to main content

DOE PAGESDOE PAGES

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

In this study, 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 andmore » (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
Authors:
 [1] ;  [2] ;  [1] ;  [3] ;  [3] ;  [4] ;  [4] ;  [4] ;  [5] ;  [6] ;  [1] ;  [3] ;  [3] ;  [7] ;  [1] ;  [1]
  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 at Austin, Austin, TX (United States)
  7. Old Dominion Univ., Norfolk, VA (United States); Beijing Computational Science Research Center, Beijing (China)
Publication Date:
OSTI Identifier:
1250854
Report Number(s):
PNNL-SA--109346
Journal ID: ISSN 0309-1708; PII: S0309170815002225
Grant/Contract Number:
AC0576RL01830; AC04-94AL85000; SC0001114
Type:
Accepted Manuscript
Journal Name:
Advances in Water Resources
Additional Journal Information:
Journal Volume: 117; Journal Issue: C; Journal ID: ISSN 0309-1708
Publisher:
Elsevier
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Org:
USDOE
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