Chemically Reacting Flow: Theory, Modeling, and Simulation

A guide to the theoretical underpinnings and practical applications of chemically reacting flow Chemically Reacting Flow: Theory, Modeling, and Simulation, Second Edition develops fundamental concepts in fluid mechanics and physical chemistry while also helping students and professionals to develop the analytical and simulation skills needed to solve real–world engineering problems. The authors clearly explain the theoretical and computational building blocks enabling readers to extend the approaches described to related or entirely new applications. New to this Second Edition are substantially revised and reorganized coverage of topics treated in the first edition. New material in the book includes two important areas of active research: reactive porous–media flows and electrochemical kinetics. These topics create bridges between traditional fluid mechanics and reactive transport within electrochemical systems such as fuel cells. The first half of the book is devoted to multicomponent fluid–mechanical fundamentals. In the second half the authors provide the necessary fundamental background needed to couple reaction chemistry into complex reacting–flow models. Coverage of such topics is presented in self–contained chapters, enabling a great deal of flexibility in course curriculum design. Features new chapters on reactive porous–media flow, electrochemistry, chemical thermodynamics, transport properties, and solving differential equations in MATLAB Provides the theoretical underpinnings and practical applications of chemically reacting flow Emphasizes fundamentals, assisting analysts to understand theoretical concepts underlying reacting–flow simulations Helps readers to acquire greater facility in the derivation and solution of conservation equations in new or unusual circumstances Reorganized to facilitate use as a graduate–level text for academic adopters Homework exercises are removed from the printed text and will be available electronically Computer simulation of reactive systems is highly efficient and cost–effective in the development, enhancement, and optimization of chemical processes. Chemically Reacting Flow: Theory, Modeling, and Simulation, Second Edition helps prepare graduate students in mechanical or chemical engineering, as well as research professionals in those fields to take utmost advantage of increasingly powerful computing capabilities.

Preface xxi

Acknowledgments xxv

1 Introduction 1

References 17

2 Fluid properties 21

viii CONTENTS

References 42

3 Fluid Kinematics 43

4 The Conservation Equations 89

CONTENTS ix

x CONTENTS

References 147

5 Parallel Flows 149

References 191

6 Similarity and Local Similarity 193

CONTENTS xi

References 222

7 Stagnation Flows 223

xii CONTENTS

References 284

8 Boundary–Layer Channel Flow 287

References 316

9 Low–Dimensional Reactors 319

CONTENTS xiii

References 342

10 Thermochemical Properties 343

References 366

11 Molecular Transport 367

xiv CONTENTS

References 412

12 Mass–Action Kinetics 413

CONTENTS xv

References 438

13 Reaction Rate Theories 439

References 475

14 Reaction Mechanisms 477

References 515

xvi CONTENTS

15 Laminar Flames 519

References 543

16 Heterogeneous Chemistry 547

CONTENTS xvii

References 586

17 Reactive Porous Media 587

References 607

18 Electrochemistry 611

xviii CONTENTS

References 647

A Vector and Tensor Operations 649

B Navier–Stokes Equations 669

CONTENTS xix

C Example in General Curvilinear Coordinates 679

D Small Parameter Expansion 685

E Boundary–Layer Asymptotic Behavior 689

F Computational Algorithms 695

References 718

G Matlab Examples 721

xx CONTENTS

Index 739

Robert J. Kee, PhD, is the George R. Brown Distinguished Professor of Engineering at the Colorado School of Mines in Golden, Colorado.

Michael E. Coltrin, PhD, is a Distinguished Member of the Technical Staff at Sandia National Laboratories, Albuquerque, New Mexico.

Peter Glarborg, PhD, is a Professor of Chemical Engineering at the Technical University of Denmark in Lyngby, Denmark.

Huayang Zhu, PhD, is a Research Professor of Mechanical Engineering at the Colorado School of Mines, Golden, Colorado.