(gc3573)Multifluid Flow and Multicomponent Reactive Transport in Heterogeneous Subsurface Systems
EMSL Project ID
3573
Abstract
Long-term, scientifically defensible predictions of subsurface contaminant fate are critical to the development of remediation alternatives that can accelerate the cleanup of DOE waste sites and reduce costs. This proposal targets the development of mechanistic process models and parameterizations, the incorporation of these models into comprehensively detailed subsurface simulators, and the use of these simulators to enhance understanding and prediction of field scale behavior. The broad objective is to develop accurate and efficient computer simulation tools that provide an improved scientific basis for understanding and describing subsurface multphase fluid flow and reactive transport in heterogeneous porous media. These detailed mechanistic process models can be powerful tools in the characterization of contaminant fate and transport in subsurface environments.
A research team that includes DOE national laboratories, universities, and private industry will perform these activities in concert with ongoing projects that provide experimental data from the laboratory and the field, as well as site-specific characterization and monitoring information. Funding for these projects comes from EM programs at DOE waste sites, SC support of the EMSP and NABIR programs, and LDRD.
A common theme for the simulations is the use of large numbers of grid cells (~105-107 ) to resolve multiple scales of subsurface heterogeneity. This project uses several different subsurface modeling approaches developed for massively parallel computers to make progress on important subsurface science and engineering issues:
? pore-scale (lattice-Boltzmann) modeling of fluid behavior in discrete pore spaces to test new theories of upscaling flow in porous media,
? multiple continuum modeling to account for flow and transport behavior in distinct subsurface regions (e.g., fractures/matrix, mobile/immobile water, connected/disconnected pores),
? continuum modeling of nonaqueous-phase liquids (NAPLs) to test the applicability of new constitutive relations to predicting fluid relative permeabilities, saturations, and pressures (i.e., k-S-P relations) in heterogeneous multidimensional subsurface materials, and
? continuum modeling of coupled flow and reactive transport in evolving porous media.
Underlying the mathematical modeling of the subsurface processes in this project is an equally strong commitment to continuously improving the algorithms, computational methods, and computer science that are the foundation for robust, accurate, efficient, portable, and scalable subsurface simulation software.
By combining to form a single proposal, the team will use MSCF's resources efficiently, share ideas, and collectively benefit from the development and incorporation of new process models, robust parallel solvers, and high performance parallel libraries. An important aspect of supporting these activities will be the testing and evaluation of parallel programming tools, debugging environments, and visualization software.
Project Details
Project type
Capability Research
Start Date
2003-10-01
End Date
2006-10-08
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Bacon DH, and BP McGrail. 2003. "Lessons Learned From Reactive Transport Modeling of a Low-Activity Waste Glass Disposal System." Computers & Geosciences 29(2003):361-370.
Bacon DH, MD White, N Gupta, JR Sminchak, and ME Kelley. 2009. "CO2 Sequestration Potential in the Rose Run Formation at the Mountaineer Power Plant, New Haven, West Virginia." In Carbon dioxide sequestration in geological media- State of the science: AAPG Studies in Geology 59, pp. 553-570. American Association of Petroleum Geologists, Tulsa, Oklahoma.
Barnes DA, DH Bacon, and SR Kelley. 2009. "Geological sequestration of carbon dioxide in the Cambrian Mount Simon Sandstone: Regional storage capacity,site characterization, and large-scale injection feasibility, Michigan Basin." Environmental Geosciences 16(3):163-183.
Cygan R, CT Stevens, RW Puls, SB Yabusaki, RD Wauchope, CJ Mcgrath, GP Curtis, MD Siegel, LA Veblen, and DR Turner. 2007. "Research Activities at U.S. Government Agencies in Subsurface Reactive Transport Modeling." Vadose Zone Journal 6(4):805-822. doi:10.2136/vzj2006.0091
Ojovan MI, W Lee, A Barinov, IV Startsceva, DH Bacon, BP McGrail, and JD Vienna. 2006. "Corrosion of low level vitrified radioactive waste in a loamy soil." Glass Technology 47(2):48-55.
Oostrom M, ML Rockhold, PD Thorne, MJ Truex, GV Last, and VJ Rohay. 2007. "Carbon Tetrachloride Flow and Transport in the Subsurface of the 216-Z-9 Trench at the Hanford Site." Vadose Zone Journal 6(4):971-984. doi:10.2136/vzj2006.0166
Oostrom M, ML Rockhold, PD Thorne, MJ Truex, GV Last, and VJ Rohay. 2007. "Carbon Tetrachloride Flow and Transport in the Subsurface of the 216-Z-9 Trench at the Hanford Site." Vadose Zone Journal 6(4):971-984. doi:10.2136/vzj2006.0166
Tartakovsky AM, P Meakin, TD Scheibe, and BD Wood. 2007. " A smoothed particle hydrodynamics model for reactive transport and mineral precipitation in porous and fractured porous media." Water Resources Research 43(5):Art. No. W05437. doi:10.1029/2005WR004770
White MD, M Oostrom, ML Rockhold, and M Rosing. 2008. "Scalable Modeling of Carbon Tetrachloride Migration at the Hanford Site Using the STOMP Simulator." Vadose Zone Journal 7(2):654-666. doi:10.2136/vzj2007.0070
Yabusaki SB, Y Fang, and SR Waichler. 2008. "Building Conceptual Models of Field-Scale Uranium Reactive Transport in a Dynamic Vadose Zone-Aquifer-River System." Water Resources Research 44:W12403. doi:10.1029/2007WR006617
Yabusaki SB, Y Fang, PE Long, CT Resch, AD Peacock, J Komlos, Jr., PR Jaffe, SJ Morrison, R Dayvault, DC White, and RT Anderson. 2007. "Uranium Removal from Groundwater via In Situ Biostimulation: Field-Scale Modeling of Transport and Biological Processes." Journal of Contaminant Hydrology 93(2007):216-235. doi:10.1016/j.jconhyd.2007.02.005