John Wiley & Sons Inc. 2003. - 848 p.
The reader of this book is presumed to have a basic undergraduate background in fluid mechanics, thermodynamics, heat transfer, and engineering mathematics. In the classroom setting, the student is presumed to be an advanced undergraduate or a graduate student in mechanical or chemical engineering. The student's background in physical chemistry is likely to be quite varied, which will have a great influence on how this book might be used in a class. We have divided the book so that it may be used in alteative ways.
This book is written to assist engineers who are working to design, improve, or optimize chemically reacting flow processes.
Contents
Preface
Acknowledgments
Nomenclature
Introduction
Objectives and Approach
Scope
Fluid Kinematics
What is a Fluid?
The Path to the Conservation Equations
The System and the Control Volume
Stress and Strain Rate
Fluid Strain Rate
Vorticity
Dilatation
The Stress Tensor
Stokes' Postulates
Transformation from Principal Coordinates
Stokes Hypothesis
Summary
Problems
The Conservation Equations
Mass Continuity
Brief Discussion on Equation of State
Brief Discussion of Viscosity
Navier-Stokes Equations
Brief Discussion on Species Diffusion
Species Conservation Brief Discussion on Thermal Conductivity
Conservation of Energy
Mechanical Energy
Thermal Energy
Perfect Gas and Incompressible Fluid
Conservation Equation Summary
Pressure Filtering
Mathematical Characteristics
Summary
Problems
Parallel Flows
Nondimensionalization of Physical Problems
Couette and Poiseuille Flow
Hagen-Poiseuille Flow in a Circular duct
Ducts of Noncircular Cross Section
Hydrodynamic Entry Length
Transient Flow in a Duct
Richardson Annular Overshoot
Stokes Problems
Rotating Shaft in Infinite Media
The Graetz Problem
Problems
Similarity and Local Similarity
Jeffery-Hamel Flow
Planar Wedge Channel
Radial-Flow Reactors
Spherical Flow between Inclined Disks
Radial Flow between Parallel Disks
Flow between Plates with Wall Injection
General Curvilinear Coordinates
Problems
Stagnation Flows
Similarity Assumptions in Axisymmetric Stagnation Flow
Generalized Steady Axisymmetric Stagnation Flow
Semi-infinite Domain
Finite-Gap Stagnation Flow
Numerical Solution
Rotating Disk
Rotating Disk in a Finite Gap
Unified View of Axisymmetric Stagnation Flow
Planar Stagnation Flows
Opposed Flow
Tubular Flows
Problems
Channel Flow
Scaling Arguments for Boundary Layers
General Setting Boundary-Layer Equations
Boundary Conditions
Von Mises Transformation
Introduction to the Method of Lines
Channel Boundary Layer as DAEs
General Von Mises Boundary Layer
Hydrodynamic Entry Length
Limitations
Solution Software
Problems
Statistical Thermodynamics
Kinetic Theory of Gases
Molecular Energy Levels
The Boltzmann Distribution
The Partition Function
Statistical Thermodynamics
Example Calculations
Problems
Mass Action Kinetics
Gibbs Free Energy
Equilibrium Constant
Mass-Action Kinetics
Pressure-Dependent Unimolecular Reactions
Bimolecular Chemical Activation Reactions
Problems
Reaction Rate Theories
Molecular Collisions
Collision Theory Reaction Rate Expression
Transition-State Theory
Unimolecular Reactions
Bimolecular Chemical Activation Reactions
Problems
Heterogeneous Chemistry
Taxonomy
Surface Species Naming Conventions
Concentrations Within Phases
Surface Reaction Rate Expressions
Thermodynamic Considerations
General Surface Kinetics Formalism
Surface-Coverage Modification of the Rate Expression
Sticking Coeffcients
Flux-Matching Conditions at a Surface
Surface Species Goveing Equations
Developing Surface Reaction Mechanisms
Example Reaction Mechanism
Problems
Molecular Transport
Introduction to Transport Coeffcients
Molecular Interactions
Kinetic Gas Theory of Transport Properties
Rigorous Theory of Transport Properties
Evaluation of Transport Coeffcients
Momentum and Energy Fluxes
Species Fluxes
Diffusive Transport Example
Problems
Reaction Mechanisms
Models for Chemistry
Characteristics of Complex Reactions
Mechanism Development
Problems
High-Temperature Chemistry
Hydrogen Oxidation
Carbon Monoxide Oxidation
Hydrocarbon Oxidation
Nitrogen Chemistry
Sulfur Chemistry
Chlorine Chemistry
Problems
Numerical Solution of Stiff Equations
Differential Equations from Chemical Kinetics
Stiff Model Problems
Solution Methods
Differential-Algebraic Equations
Solution of Nonlinear Algebraic Equations
Transient Sensitivity Analysis
Transient Ignition Example
Problems
Zero- and One-Dimensional Systems
Batch Reactors (Homogeneous Mass-Action Kinetics)
Plug Flow Reactor
Plug Flow with Variable Area and Surface Chemistry
Perfectly Stirred Reactors
Transient Stirred Reactors
Premixed Flat Flame
Premixed Flame Structure
Methane-Air Premixed Flame
Problems
Two-Dimensional Systems
Stagnation-Flow Chemical Vapor Deposition
Boundary-Layer Bypass
Stagnation Flames
Opposed-Flow Diffusion Flames
Premixed Counterflow Flames
Arc-length Continuation
Transient stagnation flow
Chemically Reacting Channel Flow
Problems
Appendix A. Vector and Tensor Operations
Vector Algebra
Unit Vector Algebra
Unit Vector Derivatives
Scalar Product
Vector Product
Vector Differentiation
Gradient
Gradient of a Vector
Curl
Divergence of a Vector
Divergence of a Tensor
Laplacian
Laplacian of a Vector
Vector Derivative Identities
Gauss Divergence Theorem
Substantial Derivative
Symmetric Tensors
Stress Tensor and Stress Vector
Direction Cosines
Coordinate Transformations
Principal Axes
Tensor Invariants
Matrix Diagonalization
Appendix В. Navier-Stokes Equations
General Vector Form
Stress Components
Cartesian Navier-Stokes Equations
Cartesian Navier-Stokes, Constant Viscosity
Cylindrical Navier-Stokes Equations
Cylindrical Navier-Stokes, Constant Viscosity
Spherical Navier-Stokes Equations
Spherical Navier-Stokes, Constant viscosity
Orthogonal Curvilinear Navier-Stokes
Appendix С. Boundary-Layer Behavior
Appendix D. Solving Differential Equations in Excel
Linear Boundary-Value Problem
Nonlinear, Coupled, Boundary-Value Problem
Parabolic Partial-Differential Equation
Elliptic Partial-Differential Equation
Boundary-Value System with an Eigenvalue
Appendix E. The Chemkin Approach
References
Index
The reader of this book is presumed to have a basic undergraduate background in fluid mechanics, thermodynamics, heat transfer, and engineering mathematics. In the classroom setting, the student is presumed to be an advanced undergraduate or a graduate student in mechanical or chemical engineering. The student's background in physical chemistry is likely to be quite varied, which will have a great influence on how this book might be used in a class. We have divided the book so that it may be used in alteative ways.
This book is written to assist engineers who are working to design, improve, or optimize chemically reacting flow processes.
Contents
Preface
Acknowledgments
Nomenclature
Introduction
Objectives and Approach
Scope
Fluid Kinematics
What is a Fluid?
The Path to the Conservation Equations
The System and the Control Volume
Stress and Strain Rate
Fluid Strain Rate
Vorticity
Dilatation
The Stress Tensor
Stokes' Postulates
Transformation from Principal Coordinates
Stokes Hypothesis
Summary
Problems
The Conservation Equations
Mass Continuity
Brief Discussion on Equation of State
Brief Discussion of Viscosity
Navier-Stokes Equations
Brief Discussion on Species Diffusion
Species Conservation Brief Discussion on Thermal Conductivity
Conservation of Energy
Mechanical Energy
Thermal Energy
Perfect Gas and Incompressible Fluid
Conservation Equation Summary
Pressure Filtering
Mathematical Characteristics
Summary
Problems
Parallel Flows
Nondimensionalization of Physical Problems
Couette and Poiseuille Flow
Hagen-Poiseuille Flow in a Circular duct
Ducts of Noncircular Cross Section
Hydrodynamic Entry Length
Transient Flow in a Duct
Richardson Annular Overshoot
Stokes Problems
Rotating Shaft in Infinite Media
The Graetz Problem
Problems
Similarity and Local Similarity
Jeffery-Hamel Flow
Planar Wedge Channel
Radial-Flow Reactors
Spherical Flow between Inclined Disks
Radial Flow between Parallel Disks
Flow between Plates with Wall Injection
General Curvilinear Coordinates
Problems
Stagnation Flows
Similarity Assumptions in Axisymmetric Stagnation Flow
Generalized Steady Axisymmetric Stagnation Flow
Semi-infinite Domain
Finite-Gap Stagnation Flow
Numerical Solution
Rotating Disk
Rotating Disk in a Finite Gap
Unified View of Axisymmetric Stagnation Flow
Planar Stagnation Flows
Opposed Flow
Tubular Flows
Problems
Channel Flow
Scaling Arguments for Boundary Layers
General Setting Boundary-Layer Equations
Boundary Conditions
Von Mises Transformation
Introduction to the Method of Lines
Channel Boundary Layer as DAEs
General Von Mises Boundary Layer
Hydrodynamic Entry Length
Limitations
Solution Software
Problems
Statistical Thermodynamics
Kinetic Theory of Gases
Molecular Energy Levels
The Boltzmann Distribution
The Partition Function
Statistical Thermodynamics
Example Calculations
Problems
Mass Action Kinetics
Gibbs Free Energy
Equilibrium Constant
Mass-Action Kinetics
Pressure-Dependent Unimolecular Reactions
Bimolecular Chemical Activation Reactions
Problems
Reaction Rate Theories
Molecular Collisions
Collision Theory Reaction Rate Expression
Transition-State Theory
Unimolecular Reactions
Bimolecular Chemical Activation Reactions
Problems
Heterogeneous Chemistry
Taxonomy
Surface Species Naming Conventions
Concentrations Within Phases
Surface Reaction Rate Expressions
Thermodynamic Considerations
General Surface Kinetics Formalism
Surface-Coverage Modification of the Rate Expression
Sticking Coeffcients
Flux-Matching Conditions at a Surface
Surface Species Goveing Equations
Developing Surface Reaction Mechanisms
Example Reaction Mechanism
Problems
Molecular Transport
Introduction to Transport Coeffcients
Molecular Interactions
Kinetic Gas Theory of Transport Properties
Rigorous Theory of Transport Properties
Evaluation of Transport Coeffcients
Momentum and Energy Fluxes
Species Fluxes
Diffusive Transport Example
Problems
Reaction Mechanisms
Models for Chemistry
Characteristics of Complex Reactions
Mechanism Development
Problems
High-Temperature Chemistry
Hydrogen Oxidation
Carbon Monoxide Oxidation
Hydrocarbon Oxidation
Nitrogen Chemistry
Sulfur Chemistry
Chlorine Chemistry
Problems
Numerical Solution of Stiff Equations
Differential Equations from Chemical Kinetics
Stiff Model Problems
Solution Methods
Differential-Algebraic Equations
Solution of Nonlinear Algebraic Equations
Transient Sensitivity Analysis
Transient Ignition Example
Problems
Zero- and One-Dimensional Systems
Batch Reactors (Homogeneous Mass-Action Kinetics)
Plug Flow Reactor
Plug Flow with Variable Area and Surface Chemistry
Perfectly Stirred Reactors
Transient Stirred Reactors
Premixed Flat Flame
Premixed Flame Structure
Methane-Air Premixed Flame
Problems
Two-Dimensional Systems
Stagnation-Flow Chemical Vapor Deposition
Boundary-Layer Bypass
Stagnation Flames
Opposed-Flow Diffusion Flames
Premixed Counterflow Flames
Arc-length Continuation
Transient stagnation flow
Chemically Reacting Channel Flow
Problems
Appendix A. Vector and Tensor Operations
Vector Algebra
Unit Vector Algebra
Unit Vector Derivatives
Scalar Product
Vector Product
Vector Differentiation
Gradient
Gradient of a Vector
Curl
Divergence of a Vector
Divergence of a Tensor
Laplacian
Laplacian of a Vector
Vector Derivative Identities
Gauss Divergence Theorem
Substantial Derivative
Symmetric Tensors
Stress Tensor and Stress Vector
Direction Cosines
Coordinate Transformations
Principal Axes
Tensor Invariants
Matrix Diagonalization
Appendix В. Navier-Stokes Equations
General Vector Form
Stress Components
Cartesian Navier-Stokes Equations
Cartesian Navier-Stokes, Constant Viscosity
Cylindrical Navier-Stokes Equations
Cylindrical Navier-Stokes, Constant Viscosity
Spherical Navier-Stokes Equations
Spherical Navier-Stokes, Constant viscosity
Orthogonal Curvilinear Navier-Stokes
Appendix С. Boundary-Layer Behavior
Appendix D. Solving Differential Equations in Excel
Linear Boundary-Value Problem
Nonlinear, Coupled, Boundary-Value Problem
Parabolic Partial-Differential Equation
Elliptic Partial-Differential Equation
Boundary-Value System with an Eigenvalue
Appendix E. The Chemkin Approach
References
Index