Modeling and Simulation of Reactive Flows

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.

Helps readers learn how to apply applications of numerical methods to simulate geochemical kineticsPresents methods on how to transform the transport equations in several coordinate systemsIncludes 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 situationsOffers a distinctive approach that combines diffusion flames and geochemical flow problems

Modeling and Simulation of Reactive Flows, 1st Edition

• 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