Modeling and Simulation of Reactive Flows - 1st Edition - ISBN: 9780128029749, 9780128029916

Modeling and Simulation of Reactive Flows

1st Edition

Authors: A.L. De Bortoli Greice Andreis Felipe Pereira
eBook ISBN: 9780128029916
Paperback ISBN: 9780128029749
Imprint: Elsevier
Published Date: 3rd July 2015
Page Count: 212
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Modelling and Simulation of Reactive Flows presents information on modeling and how to numerically solve reactive flows. The book offers a distinctive approach that combines diffusion flames and geochemical flow problems, providing users with a comprehensive resource that bridges the gap for scientists, engineers, and the industry.

Specifically, the book looks at the basic concepts related to reaction rates, chemical kinetics, and the development of reduced kinetic mechanisms. It considers the most common methods used in practical situations, along with equations for reactive flows, and various techniques—including flamelet, ILDM, and Redim—for jet flames and plumes, with solutions for both.

In addition, the book includes techniques to accelerate the convergence of numerical simulation, and a discussion on the analysis of uncertainties with numerical results, making this a useful reference for anyone who is interested in both combustion in free flow and in porous media.

Key Features

  • Helps readers learn how to apply applications of numerical methods to simulate geochemical kinetics
  • Presents methods on how to transform the transport equations in several coordinate systems
  • Includes discussions of the basic concepts related to reaction rates, chemical kinetics, and the development of reduced kinetic mechanisms, including the most common methods used in practical situations
  • Offers a distinctive approach that combines diffusion flames and geochemical flow problems


Professors and professionals in mechanical engineering, materials engineers, chemical & process engineers and engineers working on solving reactive flows; academics  and instructors of MSc/graduate programs on Modelling and Simulation of Reactive Flows.

Table of Contents

  • Preface
  • Acknowledgments
  • List of Symbols
  • List of Abbreviations
  • Chapter 1: Chemical Equilibrium
    • Abstract
    • 1.1 Chemical Equilibrium in Aqueous Solution
    • 1.2 Chemical Equilibrium in the Gaseous Phase
  • Chapter 2: Chemical Kinetics
    • Abstract
    • 2.1 Reaction Rates
    • 2.2 Kinetic Mechanisms
    • 2.3 Reduced Kinetic Mechanisms
  • Chapter 3: Equations of Fluid Dynamics
    • Abstract
    • 3.1 Governing Equations for Nonreactive Flows
    • 3.2 Governing Equations for Reactive Flows
  • Chapter 4: Mixing and Turbulent Flows
    • Abstract
    • 4.1 Mixture Fraction
    • 4.2 Turbulent Flows
  • Chapter 5: Models for Reactive Flows
    • Abstract
    • 5.1 Some Techniques to Obtain Reduced Mechanisms
    • 5.2 Models for Premixed Flames
    • 5.3 Models for Diffusion Flames
    • 5.4 Models for Reactive Flows in Porous Media
  • Chapter 6: Numerical Methods for Reactive Flows
    • Abstract
    • 6.1 Cartesian and Generalized Coordinates
    • 6.2 Virtual Boundary Method
    • 6.3 Low Mach-Number Formulation
    • 6.4 Large-Eddy Simulation (LES)
    • 6.5 Methods of Discretization of Flow Equations
    • 6.6 High-Order Schemes and Compact Schemes
    • 6.7 Explicit and Implicit Methods Used in Reactive Flows
    • 6.8 Methods for Solving Stiff Systems of Equations
    • 6.9 Application of Boundary Conditions
    • 6.10 Some Techniques to Accelerate the Convergence
    • 6.11 Implementation Issues and Analysis of Uncertainties
  • Chapter 7: Elementary Applications
    • Abstract
    • 7.1 Solution for Diffusion Flames
    • 7.2 Solution for the Flow in Porous Media
    • 7.3 Solution for Combustion in Porous Media
  • Appendix A: Review of Operations with Vectors and Tensors
    • Reynolds transport theorem
    • Divergence theorem (Gauss’s theorem or Green’s theorem)
  • Appendix B: Equations of Fluid Dynamics in Cylindrical and Spherical Coordinates
    • B.1 Continuity Equation
    • B.2 Momentum Equation
    • B.3 Energy Equation
    • B.4 Species Equation
  • Index


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About the Author

A.L. De Bortoli

Prof. De Bortoli acquired good numerical experience at the DLR, Deutsches Zentrum für Luft- und Raumfahrt, Braunschweig, Germany, during part of his doctorate, and gained experience in combustion during his postdoctoral work performed at ITV, Institut für Technische Verbrennung, RWTH, Aachen, Germany. Professor De Bortoli has experience in solving geochemical fluxes acquired during his development of the Petrobras (Oil Company of Brazil). In addition, he oversaw about 30 Dissertations, 10 Ph.Ds and 3 post-doctoral works att Graduate Programs in both Applied Mathematics and Chemical Engineering.

Affiliations and Expertise

Department of Pure and Applied Mathematics, UFRGS, Porto Alegre, Brazil

Greice Andreis

Prof. G.S.L. Andreis has experience developing models and numerical simulation obtained during her Ph.D. and post-doctoral work in Chemical Engineering under the supervision of Prof. De Bortoli.

Affiliations and Expertise

Federal Institute of Education, Science and Technology of Rio Grande do Sul (IFRS), Caxias do Sul, Brazil

Felipe Pereira

F.N. Pereira is finishing his Ph.D. in the Development of analytical-numerical solutions for bioethanol turbulent jet diffusion flames, under the supervision of Prof. Álvaro L. de Bortoli.

Affiliations and Expertise

State Environmental Protection (FEPAM), Porto Alegre, Brazil

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