
Solute Transport Modelling
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The past 4 decades have witnessed an increasing concern worldwide for environmental quality and management. This concern has been for land, water, and air resources as well as ecosystems. Concern for water resources has extended to water over and below the land surface (i.e., surface water, unsaturated water, and groundwater), atmospheric water, oceanic waters, as well as snow, ice, and glacier resources. Fundamental to sustained environmental quality and management is solute transport. As a result, a huge amount of literature, including journal papers, technical reports, conference proceedings papers, and books has been published and continues to be published. This is particularly true in the area of groundwater. This book deals with solute transport modeling in groundwater. This is a small book comprising 7 chapters encompassing 205 pages. Chapter 1 introduces main physical and chemical transport processes, derives the transport equation, and discusses the mathematical nature of the equation along with initial and boundary conditions. The discussion in the chapter is presented clearly and is quite easy to understand, even if one has no prior background in the area. Illustrations supplementing the discussion make the reading enjoyable. Chapter 2 presents analytical solutions of the transport equation under different conditions. For one dimensional transport, solutions are provided for instantaneous source, continuous source, and finite-duration source. Two dimensional transport solutions include instantaneous source, continuous source, steady-state plume, and finite aquifer. Analytical solutions are supplemented with a concise and meaningful discussion. Recognizing the limitations of analytical solutions, grid-based numerical methods are presented in Chapter 3. These methods include finite-difference method, finite-volume method, and finite-element method. The chapter discusses numerical schemes for time discretization of the transport equation first, such as explicit Euler method, implicit Euler method, Crank-Nicholson method, and higher order methods, the chapter then goes on to discuss mass balance for ID as well as 2D finite difference. Criteria for numerical stability as well as precision are included in the discussion. Finite-volume method is discussed next. Triangulation and dual grids, approximation functions and mass balance, upwind stabilisation, and incorporation of boundary conditions are included in the discussion. The discussion of the finite- element method includes Galerkin method, stabilisation, boundary conditions, and adaptive "ridding. The chapter is quite easy to follow and is clear and to-the-point in presentation. Numerical methods based on particle tracking constitutes the subject matter of Chapter 4. Discussed in this method are the Bowline and travel-time method, characteristics method, and random-walk method. The chapter is concluded with a discussion on the comparison of these methods as well as the numerical methods presented in the previous chapter. Chapter 5 discusses methods for obtaining solutions of systems of equations that appear in the methods presented in Chapters 3 and 4. These methods include direct solution, classical linear iterative methods, conjugate-gradient method, multigrid methods, and the Newton-Raphson method. The discussion of the methods is clear and concise. Transport and reactions are presented in Chapter 6. Retardation, dual porosity model, multispecies models, coupling of transport and reactions, and an example application of multispecies simulation are included in the chapter. The discussion in the chapter is comprehensive. Chapter 7 deals with transport in fractured media, including flow and transport in a single fracture, equivalent porous media approach, multidomain approach, discrete fracture approach, and modeling strategies. The chapter provides a good and comprehensive discussion. On the whole the book is well written, is easy to follow, and concise. A significant amount of the literature cited in the text is older than 10 years. It would have been desirable if it had presented the inherent difficulties in dealing with solute transport in groundwater, especially from the point of view of uncertainties associated with mathematical formulations being employed these days and the resulting errors and the reliability of different formulations for different conditions. The book will serve as a good text for a course on solute transport either at the senior undergraduate level or the beginning graduate level. It would also be useful to have this book on one's bookshelf. Vijay P. Singh Journal of Hydrologic Engineering, Sept/Oct 2006, p. 512Das vorliegende Buch, das die überarbeitete und erweiterte Englisch-Ausgabe des im Jahr 2002 erschienenen Buches von Rausch, Schäfer & Wagner ist, gibt einen Überblick über die physikalischen und mathematischen Grundlagen des Stofftransports im Grundwasser und die darauf beruhenden numerischen Grundwassermodelle. Im ersten Kapitel wird auf Modell-relevante Fragestellungen eingegangen. Es werden die Transportprozesse, die damit gekoppelten Reaktionen und die relevanten Gleichungssysteme angesprochen. Es folgen die Herleitung der Transportgleichung, die Erläuterung ihrer physikalischen Natur sowie die Beschreibung der Anfangs- und Randbedingungen eines Modellsystems. Das nächste Kapitel ist analytischen Lösungen gewidmet, die jedoch nur bei stark vereinfachenden Annahmen, die häufig nicht konform mit der hydrogeologischen Wirklichkeit sind, in Frage kommen. Es werden analytische Lösungen für einen 1 D- und 2 D-Stofftransport sowohl für pulsförmigen als auch für permanenten Eintrag sowie für ein homogenes Strömungsfeld in einem finiten und einem semi-finiten Grundwasserleiter präsentiert. Das anschließende Kapitel geht auf numerische Methoden ein, die auf einem Modellgitter basieren. Besprochen werden die Finite Differenzen-, die Finite Volumen- und die Finite Elemente-Methoden im Hinblick auf 1 D- und 2 D-Fälle. Diskutiert werden in diesem Zusammenhang u.a. numerische Stabilitätskriterien, Anfangs- und Randbedingungen, ``upwind''-Gewichtung sowie Modellnetzverfeinerung. Das folgende Kapitel befasst sich mit dem Bahnlinien-Verfahren (particle tracking). Im Einzelnen wird auf das flowlineund travel time-Verfahren, das Standard- und modifizierte Charakteristiken-Verfahren und auf das random walk-Verfahren eingegangen. Das letztere Verfahren spielt eine Rolle im Hinblick auf den dispersiven und diffusiven Anteil des Transportprozesses. Das Kapitel endet mit einem Methodenvergleich, ihren Stärken und Schwächen. Das fünfte Kapitel ist der Lösung von Gleichungssystemen gewidmet. Zunächst geht es darum, die Gleichungsmatrix direkt zu lösen, es folgt die Beschreibung der klassischen linearen iterativen Methode sowie weiterer Verfahren wie z.B. in mehreren Varianten die multi grid-Methode oder die Newton-Raphson-Methode. Im nächsten Kapitel gehen die Verfasser auf die Mathematik/ Physik des Transportprozesses und relevante Re aktionen ein. Unter anderem werden angesprochen Retardation, Zerfall 1. Ordnung, das Doppelte Porosität-Modell, in dem Advektion auf Klüften und Diffusion im ``Totwasser''- Bereich miteinander gekoppelt werden, Kationenaustausch und mikrobielle Redox-Reaktionen. Weiterhin werden ein Überblick über Multispezies-Modelle gegeben und eine Multispezies-Simulation anhand eines Beispiels verdeutlicht. Im letzten Kapitel machen die Autoren klar, dass die numerische Simulation des Stofftransports in den meist komplexen Kluftgrundwasserleitern eine Herausforderung darstellt. Neue Verfahrensansätze versuchen, mit diesem Problem fertig zu werden. Mit zunehmender mathematischer Komplexität und Datenerfordernissen handelt es sich dabei um das einfache und das doppelte Kontinuumsmodell sowie um das Trennflächenmodell. Zunächst wird auf analytische und semi-analytische Lösungen eingegangen, dann auf die numerische Transportmodellierung für Kluftnetze, Modellstrategien werden nur randlich angesprochen. Der Rezensent merkt kritisch an, dass in Anbetracht der Vorherrschaft von Festgesteinen in Deutschland in diesem Buch explizite Ausführungen über die numerische Simulation des Stofftransports in Kluftgrundwasserleitern entschieden zu kurz gekommen sind. Die Verfasser versorgen im Hinblick auf Transportmodelle Anwender mit viel theoretischem Wissen (und verweisen in diesem Zusammenhang auch auf ein umfangreiches Literaturverzeichnis mit 141 Zitaten), etwas mehr Bezug auf die Praxis wäre hilfreich gewesen. Das Buch ist in erster Linie für ausgesprochene Spezialisten interessant, aber auch für auf dem Grundwassersektor praktisch tätige Ingenieure, Hydrologen und Hydrogeologen. Benedikt Toussaint, Taunusstein Hydrologie und Wasserbewirtschaftung 51, 2007, H.1
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Content
- Intro
- Transport processes and equation
- Transport model
- The transport equation
- Transport processes
- Advection
- Molecular diffusion
- Dispersion
- Reactions
- Derivation of the transport equation
- Mathematical nature of the transport equation
- Initial and boundary conditions
- Analytical solutions
- One-dimensional transport
- Instantaneous source
- Continuous source
- Finite-duration source
- Two-dimensional transport
- Instantaneous source
- Continuous source
- Steady-state plume
- Semi-infinite aquifer
- Other transport solutions
- Grid-based numerical methods
- Time discretization
- The explicit Euler method
- The implicit Euler method
- The Crank-Nicolson method
- Higher-order methods
- The finite difference method
- Mass balance for 1D finite difference
- Matrix equation in one dimension
- Criteria for numerical stability
- Criteria for numerical precision
- Finite difference solution of the 2D transport equation
- Mass balance for 2D finite difference
- Stability and precision of the 2D solution
- Finite volume method
- Triangulation and dual grids
- Approximation functions and mass balance
- Upwind stabilization
- Incorporation of boundary conditions
- Finite element method
- Galerkin method
- Stabilization
- Finite element boundary conditions
- Adaptive gridding
- Example
- Numerical methods: Particle tracking
- The flowline and travel time method
- Method of characteristics
- Standard method of characteristics
- Modified method of characteristics
- Random-walk method
- Theoretical basis
- Calculation of dispersion
- Generation of particle distributions
- The random-walk method in two and three dimensions
- Computation of concentration distribution
- Determination of the flow field
- Comparison of methods
- Solution of systems of equations
- Direct solution
- Classical linear iterative methods
- The Jacobi and Gauss-Seidel methods
- Underrelaxed Jacobi method and SOR method
- ILU decomposition
- The conjugate gradient method
- Conjugate gradient method for symmetric matrices
- Preconditioned CG method for symmetric matrices
- The GMRES method
- The BiCGStab method
- Multigrid methods
- Smoothing
- Correction for coarse grids
- Prolongation and restriction
- Multigrid algorithm
- Grid hierarchy
- Computational and memory requirements
- Algebraic multigrid
- The Newton-Raphson method
- The Newton method for functions of a single variable
- The Newton method for systems of equations
- Transport and reactions
- Simple reaction models
- Retardation
- First-order decay
- Dual-porosity model
- Equations and parameters
- Dual-porosity behavior
- Application of the dual-porosity model
- Multispecies models
- Carbonate system equilibrium
- Cation exchange
- Other equilibrium models
- Microbial redox reactions
- Overview of existing multispecies models
- Coupling of transport and reactions
- Example of a multispecies simulation
- Hypothetical column
- Results
- Application of multispecies models
- Transport in fractured media
- Flow and transport in a single fracture
- Equivalent Porous Medium approach
- Multi-domain approach
- Dual-domain approach
- Dual-porosity approach
- Discrete fracture approach
- Analytical solutions for discrete fracture transport
- Semi-analytical solution for fracture networks
- Numerical transport models for fracture networks
- Analogy between dual-porosity and discrete fracture model
- Modelling strategies
- References
- List of symbols
- Index
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