Numerical Approaches to Combustion Modeling.

Cover -- Title -- Copyright -- Table of Contents -- Preface -- Background -- Ab Initio Quantum Chemistry for Combustion -- Electronic Structure Methods -- Potential Energy Surfaces -- Reaction Path Approaches -- Computational Issues -- References -- Rate Coefficient Calculations for Combustion Modeling -- Introduction -- Potential Energy Surfaces -- Transition State Theory -- Molecular Dynamics -- Sensitivity Analysis -- References -- Numerical Modeling of Combustion of Complex Hydrocarbon -- Introduction -- Autoignition and Engine Knock -- High- and Intermediate-Temperature Ignition -- Extensions to Low Temperature -- Examples of Model Tests in Different Environments -- Summary -- References -- Combustion Kinetics and Sensitivity Analysis Computations -- Introduction -- Methods for Stiff ODE's -- Local Sensitivity Analysis Methods -- Concluding Remarks -- References -- Reduction of Chemical Reaction Models -- Introduction: Why Reduction? -- Modeling Strategy -- Global Modeling -- Response Modeling -- Detailed Reduction -- Chemical Lumping -- Statistical Lumping -- Summary: Use of Reduction in Combustion Modeling -- References -- Background -- Length Scales in Laminar and Turbulent Flames -- Introduction -- Length Scales in Laminar Flames -- Length Scales in Turbulent Flames -- Conclusions -- References -- Numerical Modeling of Laminar Diffusion Flames -- Introduction -- Counterflow Diffusion Flames -- Axisymmetric Coflow Diffusion Flames -- Conclusions -- References -- Laminar Flames in Premixed Gases -- Nomenclature -- Introduction -- Numerical Approaches to Modeling of Flames -- Description of Two Detailed Flame Models -- Numerical Studies of Laminar Flames -- Current Status and Future Needs -- References -- Spectral Simulations of Turbulent Reacting Flows -- Introduction -- Spectral Method -- Applications -- Concluding Remarks -- References.

Vortex Simulation of Reacting Shear Flow -- Background -- Vortex Element Method in Two Dimensions -- Vortex Element Method in Three Dimensions -- Transport Element Method -- Vortex Methods for Variable-Density Flows -- Vortex Methods for Reacting Flows -- Extensions -- Conclusion -- References -- Combustion Modeling Using PDF Methods -- Introduction -- PDF Methods -- Numerical Solution Algorithms -- Turbulent Flame Calculations -- Discussion and Conclusion -- References -- Background -- Supersonic Reacting Internal Flow Fields -- Introduction -- Background -- Theory -- Numerical Algorithms -- Applications -- Concluding Remarks -- References -- Studies of Detonation Initiation, Propagation, and Quenching -- Introduction -- Numerical Considerations -- Weak and Strong Ignition Behind Reflected Shocks -- Multidimensional Detonation Structure -- Summary -- References -- Numerical Modeling of Heterogeneous Detonations -- Nomenclature -- Introduction -- Structure of Heterogeneous Detonations -- Direct Initiation of Heterogeneous Detonations -- Discussion and Conclusions -- References -- Deflagration-to-Detonation Transition in Reactive Granular Materials -- Introduction -- Theory for Reactive Two-Phase Flows -- One-Dimensional Initial Value Problems -- DDT in Granular Explosive HMX -- Two-Dimensional Computations of Flame Propagation -- Unresolved Technical Issues -- Summary -- References -- Toward a Microscopic Theory of Detonations in Energetic Crystals -- Introduction -- First Molecular Dynamics Investigations of Energetic Materials -- Role of the Crystal Structure -- Effects of the Chemistry -- New Approach: Microscopic Modeling -- Discussion and Conclusion: Toward a Microscopic Theory -- References -- An Overview of Spray Modeling -- References -- Background -- Liquid Drop Behavior in Dense and Dilute Clusters -- Nomenclature -- Introduction.

Survey of Drop Interaction Models -- Models of Drop Evaporation, Ignition, and Combustion Based on Multiple-Drop Interactions -- Conclusions -- References -- Spray Combustion in Idealized Configurations: Parallel Drop Streams -- Nomenclature -- Introduction -- Problem Statement -- Comprehensive Model -- Nonvaporizing Case: Analytical Solution -- Vaporizing Spray -- Steady Reactive Case -- Unsteady Reactive Case -- Conclusions -- Future Challenges and Concluding Remarks -- References -- Comparisons of Deterministic and Stochastic Computations of Drop Collisions in Dense Sprays -- Introduction -- Calculation Approaches -- Stochastic Results -- Deterministic Results -- Conclusions -- References -- Ignition and Flame Spread Across Solid Fuels -- Physical Description of Problem -- Classification of Ignition and Flame-Spread Problems -- Modeling Solid-Fuel Combustion Processes -- Gas-Phase Models -- Solid-Phase Models -- Initial and Boundary Conditions -- Finite-Difference Approximations -- Numerical Solution Procedures -- Numerical Simulations of Ignition and Flame Spread -- Conclusions and Further Developments -- References -- Pulse Combustor Dynamics: A Numerical Study -- Nomenclature -- Introduction -- Problem Formulation, Basic Equations, and Numerical Method -- Results -- Concluding Remarks -- References -- Mathematical Modeling of Enclosure Fires -- Preliminaries -- Physics of Fire -- Field Models -- Zone Models -- Concluding Remarks -- References -- Nuclear Systems -- Introduction -- Overview of Numerical Models -- Nonreactor Systems -- Nuclear Reactor Containment Systems -- Research Directions -- References -- Author Index -- Table of Contents for Colored Plates.

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Electronic reproduction. Ann Arbor, Michigan : ProQuest Ebook Central, 2024. Available via World Wide Web. Access may be limited to ProQuest Ebook Central affiliated libraries.