skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Implications of Grain-Scale Mineralogical Heterogeneity for Radionuclide Transport in Fractured Media

Journal Article · · Transport in Porous Media
ORCiD logo [1];  [1];  [2];  [3];  [4];  [1];  [5];  [2];  [5]
  1. AMPHOS 21 Consulting S.L., Barcelona (Spain)
  2. Forschungszentrum Julich (Germany). Inst. for Energy and Climate Research. Nuclear Waste Management and Reactor Safety
  3. Computer-Aided Fluid Engineering AB, Lyckeby (Sweden)
  4. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Applied Systems Analysis and Research
  5. Swedish Nuclear Fuel and Waste Management Company, Stockholm (Sweden)

The geological disposal of nuclear waste is based on the multi-barrier concept, comprising various engineered and natural barriers, to confine the radioactive waste and isolate it from the biosphere. Some of the planned repositories for high-level nuclear waste will be hosted in fractured crystalline rock formations. The potential of these formations to act as natural transport barriers is related to two coupled processes: diffusion into the rock matrix and sorption onto the mineral surfaces available in the rock matrix. Different in situ and laboratory experiments have pointed out the ubiquitous heterogeneous nature of the rock matrix: mineral surfaces and pore space are distributed in complex microstructures and their distribution is far from being homogeneous (as typically assumed by Darcy-scale coarse reactive transport models). We use a synthetically generated fracture–matrix system to assess the implications of grain-scale physical and mineralogical heterogeneity on cesium transport and retention. The resulting grain-scale reactive transport model is solved using high-performance computing technologies, and the results are compared with those derived from two alternative models, denoted as upscaled models, where mineral abundance is averaged over the matrix volume. In the grain-scale model, the penetration of cesium into the matrix is faster and the penetration front is uneven and finger-shaped. The analysis of the cesium breakthrough curves computed at two different points in the fracture shows that the upscaled models provide later first-arrival time estimates compared to the grain-scale model. The breakthrough curves computed with the three models converge at late times. These results suggest that spatially averaged upscaled parameters of sorption site distribution can be used to predict the late-time behavior of breakthrough curves but could be inadequate to simulate the early behavior.

Research Organization:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); AMPHOS 21 Consulting S.L., Barcelona (Spain); Computer-Aided Fluid Engineering AB, Lyckeby (Sweden)
Sponsoring Organization:
USDOE; Swedish Nuclear Fuel and Waste Management Company (SKB)
Grant/Contract Number:
AC04-94AL85000
OSTI ID:
1497639
Report Number(s):
SAND-2016-5312J; 672254
Journal Information:
Transport in Porous Media, Vol. 116, Issue 1; ISSN 0169-3913
Publisher:
SpringerCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 13 works
Citation information provided by
Web of Science

References (22)

Stochastic simulation of radionuclide migration in discretely fractured rock near the Äspö Hard Rock Laboratory: RETENTION IN FRACTURE NETWORKS journal February 2004
Transport of reactive tracers in rock fractures journal January 1999
Direct numerical simulation of pore-scale reactive transport: applications to wettability alteration during two-phase flow journal January 2012
Pore-scale imaging and modelling journal January 2013
Micro-Continuum Approaches for Modeling Pore-Scale Geochemical Processes journal January 2015
A continuum representation of fracture networks. Part I: Method and basic test cases journal September 2001
Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN: Evaluating the Parallel Performance of Pflotran journal January 2014
DarcyTools: A Computer Code for Hydrogeological Analysis of Nuclear Waste Repositories in Fractured Rock journal January 2014
A generalised sorption model for the concentration dependent uptake of caesium by argillaceous rocks journal March 2000
CO2–rock–brine interactions in Lower Tuscaloosa Formation at Cranfield CO2 sequestration site, Mississippi, U.S.A. journal January 2012
Modeling of cesium sorption on biotite using cation exchange selectivity coefficients journal January 2014
A continuum representation of fracture networks. Part II: application to the Äspö Hard Rock laboratory journal September 2001
Predictions of non-Fickian solute transport in different classes of porous media using direct simulation on pore-scale images journal January 2013
Time domain particle tracking methods for simulating transport with retention and first-order transformation: TIME DOMAIN PARTICLE TRACKING journal January 2008
Modeling of an in-situ diffusion experiment in granite at the Grimsel Test Site journal January 2014
An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation: EFFECT OF PORE SCALE FLOW ON GEOCHEMICAL REACTION RATES journal March 2012
Diffusion in the rock matrix: An important factor in radionuclide retardation? journal August 1980
Mineralogical heterogeneity in fractured, porous media and its representation in reactive transport models journal June 2002
Role of Competitive Cation Exchange on Chromatographic Displacement of Cesium in the Vadose Zone beneath the Hanford S/SX Tank Farm journal January 2004
Pore-Scale Controls on Calcite Dissolution Rates from Flow-through Laboratory and Numerical Experiments journal June 2014
Diffusion of Tracer in Altered Tonalite: Experiments and Simulations with Heterogeneous Distribution of Porosity journal October 2012
JUQUEEN: IBM Blue Gene/Q<sup>®</sup> Supercomputer System at the Jülich Supercomputing Centre journal June 2015

Cited By (5)

Modeling mass transfer in fracture flows with the time domain-random walk method journal July 2019
A framework for reactive transport modeling using FEniCS–Reaktoro: governing equations and benchmarking results journal January 2020
Simulating Oxygen Intrusion into Highly Heterogeneous Fractured Media Using High Performance Computing journal January 2018
Influence of solution concentration and temperature on the dissolution process and the internal structure of glauberite journal October 2018
Grains, grids and mineral surfaces: approaches to grain-scale matrix modeling based on X-ray micro-computed tomography data journal September 2019

Figures / Tables (15)