A general real-time formulation for multi-rate mass transfer problems

Abstract. Many flow and transport phenomena, ranging from delayed storage in pumping tests to tailing in river or aquifer tracer breakthrough curves or slow kinetics in reactive transport, display non-equilibrium (NE) behavior. These phenomena are usually modeled by non-local in time formulations, such as multi-porosity, multiple processes non equilibrium, continuous time random walk, memory functions, integro-differential equations, fractional derivatives or multi-rate mass transfer (MRMT), among others. We present a MRMT formulation that can be used to represent all these models of non equilibrium. The formulation can be extended to non-linear phenomena. Here, we develop an algorithm for linear mass transfer, which is accurate, computationally inexpensive and easy to implement in existing groundwater or river flow and transport codes. We illustrate this approach by application to published data involving NE groundwater flow and solute transport in rivers and aquifers.

[1]  Tanguy Le Borgne,et al.  Lagrangian statistical model for transport in highly heterogeneous velocity fields. , 2008, Physical review letters.

[2]  Philippe Gouze,et al.  Non-Fickian dispersion in porous media explained by heterogeneous microscale matrix diffusion: NON-FICKIAN DISPERSION AND HETEROGENEOUS DIFFUSION , 2008 .

[3]  T. Atkinson,et al.  Longitudinal dispersion in natural channels: 2. The roles of shear flow dispersion and dead zones in the River Severn, U.K. , 2000 .

[4]  Y. Tsang,et al.  Study of alternative tracer tests in characterizing transport in fractured rocks , 1995 .

[5]  Y. Yortsos,et al.  Application of Fractal Geometry to the Study of Networks of Fractures and Their Pressure Transient , 1995 .

[6]  E. A. Sudicky,et al.  The Laplace Transform Galerkin Technique: A time‐continuous finite element theory and application to mass transport in groundwater , 1989 .

[7]  Andres Alcolea,et al.  Regularized pilot points method for reproducing the effect of small scale variability : Application to simulations of contaminant transport , 2008 .

[8]  S. P. Neuman,et al.  Adaptive explicit‐implicit quasi three‐dimensional finite element model of flow and subsidence in multiaquifer systems , 1982 .

[9]  Brian Berkowitz,et al.  Theory of anomalous chemical transport in random fracture networks , 1998 .

[10]  C. Knudby,et al.  A continuous time random walk approach to transient flow in heterogeneous porous media , 2006 .

[11]  B. Berkowitz,et al.  Anomalous Transport in “Classical” Soil and Sand Columns , 2004, Soil Science Society of America Journal.

[12]  A. Valocchi Use of temporal moment analysis to study reactive solute transport in aggregated porous media , 1990 .

[13]  D. Benson,et al.  Time and space nonlocalities underlying fractional-derivative models: Distinction and literature review of field applications , 2009 .

[14]  Steven C. Chapra,et al.  On the relationship of transient storage and aggregated dead zone models of longitudinal solute transport in streams , 2000 .

[15]  Andrea Bottacin-Busolin,et al.  Solute transport in rivers with multiple storage zones: The STIR model , 2008 .

[16]  Da Prat Well test analysis for naturally-fractured reservoirs , 1981 .

[17]  Jesús Carrera,et al.  Coupled estimation of flow and solute transport parameters , 1996 .

[18]  G. Bodvarsson,et al.  Transient dual-porosity simulations of unsaturated flow in fractured rocks , 1995 .

[19]  Ralf Metzler,et al.  Physical pictures of transport in heterogeneous media: Advection‐dispersion, random‐walk, and fractional derivative formulations , 2002, cond-mat/0202327.

[20]  Peter Salamon,et al.  Modeling mass transfer processes using random walk particle tracking , 2006 .

[21]  Daniel M. Tartakovsky,et al.  Perspective on theories of non-Fickian transport in heterogeneous media , 2009 .

[22]  Ismael Herrera,et al.  Integrodifferential equations for systems of leaky aquifers and applications: 1. The nature of approximate theories , 1973 .

[23]  J. W. Biggar,et al.  Modeling tritium and chloride 36 transport through an aggregated oxisol , 1983 .

[24]  Feike J. Leij,et al.  Modeling the Nonequilibrium Transport of Linearly Interacting Solutes in Porous Media: A Review , 1991 .

[25]  C. Zheng,et al.  Evaluation of the applicability of the dual‐domain mass transfer model in porous media containing connected high‐conductivity channels , 2007 .

[26]  Jesús Carrera,et al.  Coupling of mass transfer and reactive transport for nonlinear reactions in heterogeneous media , 2010 .

[27]  Albert J. Valocchi,et al.  Validity of the local equilibrium assumption for modeling sorbing solute transport through homogeneous soils , 1985 .

[28]  J. Barker A generalized radial flow model for hydraulic tests in fractured rock , 1988 .

[29]  R. Yates,et al.  Integrodifferential equations for systems of leaky aquifers and applications 3. A numerical method of unlimited applicability , 1977 .

[30]  E. A. Sudicky,et al.  The Laplace Transform Galerkin technique for efficient time-continuous solution of solute transport in double-porosity media , 1990 .

[31]  W. Jury,et al.  LINEAR TRANSPORT MODELS FOR ADSORBING SOLUTES , 1993 .

[32]  Jesús Carrera,et al.  Transport upscaling in heterogeneous aquifers: What physical parameters control memory functions? , 2008 .

[33]  M. Dentz,et al.  Modeling non‐Fickian transport in geological formations as a continuous time random walk , 2006 .

[34]  P. Young,et al.  Longitudinal Dispersion in Natural Streams , 1983 .

[35]  M. V. Genuchten,et al.  A comprehensive set of analytical solutions for nonequilibrium solute transport with first‐order decay and zero‐order production , 1993 .

[36]  J. Carter,et al.  Multiple-Porosity Contaminant Transport by Finite-Element Method , 2005 .

[37]  G. Kumar Effect of sorption intensities on dispersivity and macro-dispersion coefficient in a single fracture with matrix diffusion , 2008 .

[38]  X. Sanchez‐Vila,et al.  On the striking similarity between the moments of breakthrough curves for a heterogeneous medium and a homogeneous medium with a matrix diffusion term , 2004 .

[39]  Jacques Villermaux,et al.  Chemical engineering approach to dynamic modelling of linear chromatography: a flexible method for representing complex phenomena from simple concepts , 1987 .

[40]  Albert J. Valocchi,et al.  An improved dual porosity model for chemical transport in macroporous soils , 1997 .

[41]  Vijay P. Singh,et al.  Numerical Solution of Fractional Advection-Dispersion Equation , 2004 .

[42]  Douglas J. Cosier Effects of Rate‐Limited Mass Transfer on Water Sampling with Partially Penetrating Wells , 2004 .

[43]  P. Patrick Wang,et al.  A general approach to advective–dispersive transport with multirate mass transfer , 2005 .

[44]  M. Dentz,et al.  Transport behavior of a passive solute in continuous time random walks and multirate mass transfer , 2003 .

[45]  G. I. Barenblatt,et al.  Basic concepts in the theory of seepage of homogeneous liquids in fissured rocks [strata] , 1960 .

[46]  Horst H. Gerke,et al.  Evaluation of a first-order water transfer term for variably saturated dual-porosity flow models , 1993 .

[47]  Paul A. Witherspoon,et al.  Analysis of Nonsteady Flow with a Free Surface Using the Finite Element Method , 1971 .

[48]  D. Benson,et al.  The fractional‐order governing equation of Lévy Motion , 2000 .

[49]  Roberto Revelli,et al.  A continuous time random walk approach to the stream transport of solutes , 2007 .

[50]  M. V. Genuchten,et al.  A dual-porosity model for simulating the preferential movement of water and solutes in structured porous media , 1993 .

[51]  Charles F. Harvey,et al.  What controls the apparent timescale of solute mass transfer in aquifers and soils? A comparison of experimental results , 2004 .

[52]  M. J. Lees,et al.  Extension of the QUASAR river water quality model to incorporate dead-zone mixing , 1998 .

[53]  X. Sanchez‐Vila,et al.  On matrix diffusion: formulations, solution methods and qualitative effects , 1998 .

[54]  Mary Peterson,et al.  Role of reactive-surface-area characterization in geochemical kinetic models , 1990 .

[55]  J. E. Warren,et al.  The Behavior of Naturally Fractured Reservoirs , 1963 .

[56]  G. Bodvarsson,et al.  Evidence of Multi-Process Matrix Diffusion in a Single Fracture from a Field Tracer Test , 2006 .

[57]  Jesús Carrera,et al.  Multicomponent reactive transport in multicontinuum media , 2009 .

[58]  J. Carrera An overview of uncertainties in modelling groundwater solute transport , 1993 .

[59]  H. Kazemi,et al.  NUMERICAL SIMULATION OF WATER-OIL FLOW IN NATURALLY FRACTURED RESERVOIRS , 1976 .

[60]  Rina Schumer,et al.  Fractal mobile/immobile solute transport , 2003 .

[61]  Sean Andrew McKenna,et al.  On the late‐time behavior of tracer test breakthrough curves , 2000 .

[62]  S. Gorelick,et al.  Multiple‐Rate Mass Transfer for Modeling Diffusion and Surface Reactions in Media with Pore‐Scale Heterogeneity , 1995 .

[63]  J. R. Gilman,et al.  6 – Multiphase Flow in Fractured Petroleum Reservoirs , 1993 .

[64]  H. Cinco-Ley Well-Test Analysis for Naturally Fractured Reservoirs , 1996 .

[65]  Boris Baeumer,et al.  Predicting the Tails of Breakthrough Curves in Regional‐Scale Alluvial Systems , 2007, Ground water.

[66]  R. E. Jessup,et al.  Correction to, "modeling the transport of solutes influenced by multiprocess nonequilibrium" , 1990 .

[67]  David A. Benson,et al.  A simple and efficient random walk solution of multi-rate mobile/immobile mass transport equations , 2009 .

[68]  A. M. Gorelik Object-Oriented Programming in Modern Fortran , 2004, Programming and Computer Software.

[69]  Brian Berkowitz,et al.  Continuous time random walk and multirate mass transfer modeling of sorption , 2003 .

[70]  Gedeon Dagan,et al.  A solute flux approach to transport in heterogeneous formations: 2. Uncertainty analysis , 1992 .

[71]  M. Aral,et al.  Solute Transport in Open-Channel Networks in Unsteady Flow Regime , 2004 .

[72]  Jesús Carrera,et al.  CHEPROO: A Fortran 90 object-oriented module to solve chemical processes in Earth Science models , 2009, Comput. Geosci..

[73]  D. Benson,et al.  Application of a fractional advection‐dispersion equation , 2000 .

[74]  S. Finsterle,et al.  Effects of diffusive property heterogeneity on effective matrix diffusion coefficient for fractured rock , 2005 .

[75]  Brian Berkowitz,et al.  Time behavior of solute transport in heterogeneous media: transition from anomalous to normal transport , 2003 .

[76]  J. Klafter,et al.  The random walk's guide to anomalous diffusion: a fractional dynamics approach , 2000 .

[77]  Hans-Jörg Vogel,et al.  The dominant role of structure for solute transport in soil: Experimental evidence and modelling of structure and transport in a field experiment , 2005 .

[78]  Dixon H. Landers,et al.  Transient storage and hyporheic flow along the Willamette River, Oregon: Field measurements and model estimates , 2001 .