Level set simulation of coupled advection‐diffusion and pore structure evolution due to mineral precipitation in porous media

[1] A pore-scale simulation technique based on level set interface tracking has been developed for modeling coupled reactive flow and structure evolution in porous media and fracture apertures. Advection, diffusion, and mineral precipitation resulting in changes in pore geometries are treated simultaneously by solving fully coupled fluid flow and reactive solute transport equations. The reaction-induced evolution of solid grain surfaces is captured using a level set method, and a subgrid representation of the interface based on the level set approach is used instead of a pixel representation of the interface often used in cellular automata and lattice-Boltzmann simulations. Precipitation processes within a 2-D porous medium represented by nonoverlapping discs were simulated under various flow conditions and reaction rates, and the resulting changes of pore geometry are discussed. The simulation results indicate that under reaction-limited conditions, precipitation is nearly uniform over the grain surfaces. However, this is no longer true when reaction is relatively fast and diffusion is the dominant transport process. In such cases, precipitation occurs mostly near the throat inlet and results in rapid permeability reduction with only a small reduction of porosity. In the case of fast reaction with transport dominated by advection (which is mostly likely in engineered remediation applications), solute can be delivered deep into fracture apertures and precipitation occurs mostly along preferential flow paths. Quantitative relationships between permeability and porosity under various flow conditions and reaction rates are also reported.

[1]  Pierre M. Adler,et al.  Deposition in porous media and clogging , 1993 .

[2]  James C Baygents,et al.  Stalactite growth as a free-boundary problem: a geometric law and its platonic ideal. , 2005, Physical review letters.

[3]  R. Glass,et al.  Experimental observations of fracture dissolution: The role of Peclet number on evolving aperture variability , 2003 .

[4]  Paul Meakin,et al.  Fractals, scaling, and growth far from equilibrium , 1998 .

[5]  F. Löffler,et al.  Bioreactive Barriers: A Comparison of Bioaugmentation and Biostimulation for Chlorinated Solvent Remediation , 2003 .

[6]  Pierre M. Adler,et al.  Dissolution and deposition in fractures , 1997 .

[7]  Won Tae Kim,et al.  Phase-field modeling of eutectic solidification , 2004 .

[8]  J. Thovert,et al.  Dissolution of porous media , 1995 .

[9]  W. Shyy,et al.  Computation of Solid-Liquid Phase Fronts in the Sharp Interface Limit on Fixed Grids , 1999 .

[10]  DEPOSITION IN FRACTURES , 1996 .

[11]  L. Sander,et al.  Diffusion-limited aggregation, a kinetic critical phenomenon , 1981 .

[12]  C. Oldenburg,et al.  Numerical modeling of solidification and convection in a viscous pure binary eutectic system , 1991 .

[13]  K. Pruess,et al.  Numerical simulation of CO2 disposal by mineral trapping in deep aquifers , 2004 .

[14]  R. Sekerka,et al.  Stability of a Planar Interface During Solidification of a Dilute Binary Alloy , 1964 .

[15]  H. Scott Fogler,et al.  Competition Among Flow, Dissolution, and Precipitation in Porous Media , 1989 .

[16]  Karsten Pruess,et al.  Reactive geochemical transport simulation to study mineral trapping for CO2 disposal in deep arenaceous formations , 2003 .

[17]  Dawn M. Wellman,et al.  Comparative Analysis of Soluble Phosphate Amendments for the Remediation of Heavy Metal Contaminants: Effect on Sediment Hydraulic Conductivity , 2006 .

[18]  Gretar Tryggvason,et al.  Numerical simulation of dendritic solidification with convection: two-dimensional geometry , 2002 .

[19]  Peter C. Lichtner,et al.  Continuum formulation of multicomponent-multiphase reactive transport , 1996 .

[20]  Qinjun Kang,et al.  Lattice Boltzmann simulation of chemical dissolution in porous media. , 2002, Physical review. E, Statistical, nonlinear, and soft matter physics.

[21]  Brian Evans,et al.  Permeability, porosity and pore geometry of hot-pressed calcite , 1982 .

[22]  Milton S. Plesset,et al.  Viscous Effects in Rayleigh-Taylor Instability. , 1974 .

[23]  Qinjun Kang,et al.  Lattice Boltzmann model for crystal growth from supersaturated solution , 2004 .

[24]  D. Kinderlehrer,et al.  Morphological Stability of a Particle Growing by Diffusion or Heat Flow , 1963 .

[25]  S. Osher,et al.  An improved level set method for incompressible two-phase flows , 1998 .

[26]  T. Wong,et al.  Network modeling of permeability evolution during cementation and hot isostatic pressing , 1995 .

[27]  H. S. Udaykumar,et al.  A Sharp Interface Cartesian Grid Methodfor Simulating Flows with ComplexMoving Boundaries , 2001 .

[28]  Peter C. Burns,et al.  Uranium Mineralogy and Neptunium Mobility , 2006 .

[29]  C. Steefel,et al.  Reactive transport modeling: An essential tool and a new research approach for the Earth sciences , 2005 .

[30]  Toshio Suzuki,et al.  Phase field modeling of directional eutectic solidification and comparison with experiments , 2003 .

[31]  B. Berkowitz,et al.  Measurement and analysis of dissolution patterns in rock fractures , 2002 .

[32]  B. Berkowitz,et al.  Reactive Solute Transport in a Single Fracture , 1996 .

[33]  S. Osher,et al.  Level set methods: an overview and some recent results , 2001 .

[34]  Qinjun Kang,et al.  Simulation of dissolution and precipitation in porous media , 2003 .

[35]  S. Osher,et al.  A Non-oscillatory Eulerian Approach to Interfaces in Multimaterial Flows (the Ghost Fluid Method) , 1999 .

[36]  W. R. Schowalter,et al.  Deformation of a two-dimensional drop at non-zero Reynolds number in time-periodic extensional flows: numerical simulation , 2001, Journal of Fluid Mechanics.

[37]  Q. Fisher,et al.  Mudrock‐hosted carbonate concretions: a review of growth mechanisms and their influence on chemical and isotopic composition , 2000, Journal of the Geological Society.

[38]  G. Zocchi,et al.  Local cooperativity mechanism in the DNA melting transition. , 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

[39]  Benoit B. Mandelbrot,et al.  Fractal Geometry of Nature , 1984 .

[40]  S. Osher,et al.  A level set approach for computing solutions to incompressible two-phase flow , 1994 .

[41]  Kathy McCarthy,et al.  Idaho National Laboratory , 2009 .

[42]  P. Adler,et al.  Deposition in porous media and clogging on the field scale. , 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

[43]  H. Udaykumar,et al.  Sharp interface Cartesian grid method I: An easily implemented technique for 3D moving boundary computations , 2005 .

[44]  A. Fowler,et al.  Pressure solution and viscous compaction in sedimentary basins , 1999 .

[45]  Kausik Sarkar,et al.  Drop dynamics in an oscillating extensional flow at finite Reynolds numbers , 2005 .

[46]  T. Krauss,et al.  Real-space observation of ultraslow light in photonic crystal waveguides. , 2005, Physical review letters.

[47]  A. Louisa,et al.  コロイド混合体における有効力 空乏引力から集積斥力へ | 文献情報 | J-GLOBAL 科学技術総合リンクセンター , 2002 .

[48]  Timothy D. Scheibe,et al.  A smoothed particle hydrodynamics model for reactive transport and mineral precipitation in porous and fractured porous media , 2007 .

[49]  H. Udaykumar,et al.  Sharp interface Cartesian grid method III: Solidification of pure materials and binary solutions , 2005 .

[50]  William H. Press,et al.  Book-Review - Numerical Recipes in Pascal - the Art of Scientific Computing , 1989 .

[51]  G. E. McCreery,et al.  Modeling of multiphase fluid motion in fracture intersections and fracture networks , 2005 .

[52]  Timothy D. Scheibe,et al.  Simulations of reactive transport and precipitation with smoothed particle hydrodynamics , 2007, J. Comput. Phys..

[53]  Nabeel Al-Rawahi Numerical simulation of dendritic solidification with convection. , 2002 .

[54]  J. Sethian,et al.  LEVEL SET METHODS FOR FLUID INTERFACES , 2003 .

[55]  H. Udaykumar,et al.  Sharp-interface simulation of dendritic solidification of solutions , 2002 .

[56]  Gretar Tryggvason,et al.  Numerical simulation of dendritic solidification with convection: three-dimensional flow , 2004 .

[57]  P. Meakin,et al.  Computer simulation of two‐phase immiscible fluid motion in unsaturated complex fractures using a volume of fluid method , 2005 .