Transport Properties and Potential Energy Models for Monatomic Gases
Transport Properties and Potential Energy Models for Monatomic Gases

Author: Hui Li

Publisher: Oxford University Press

Published: 2024-01-04

Total Pages: 353

ISBN-13: 0198888260

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The first two chapters of this book are an update and outgrowth of the monograph Nonequilibrium Phenomena in Polyatomic Gases published by OUP in 1990, and a response to considerable improvements in the experimental determination of the transport properties of dilute gases that have taken place during the past 30 years. The experimental determination has improved sufficiently that it has become necessary to carry out calculations at the level of the second Chapman-Cowling approximation in order to give computed results that lie within the current experimental uncertainties now being reported. Chapter 3 is devoted to realistic interatomic potential energy functions, and begins with a discussion of the need for more accurate representations of these functions. Direct inversion of both microscopic data (spectroscopic transition frequencies and atomic beam scattering) and bulk property data (pressure and acoustic second virial coefficients, transport properties) are discussed in detail. The quantum chemical ab initio determination of binary atomic interaction energies and their analytical representation are discussed, followed by a detailed considerations of the interaction energies between pairs of noble gas atoms. Chapter 4 is concerned with connections between theory and experiment, including a detailed discussion of pure noble gases and their binary mixtures. Chapter 5 focuses on how to obtain the spectroscopic and thermophysical properties of a specific molecular system theoretically step by step, and provides a reference for the specific theoretical calculation work.

Nonequilibrium Gas Dynamics and Molecular Simulation
Nonequilibrium Gas Dynamics and Molecular Simulation

Author: Iain D. Boyd

Publisher: Cambridge University Press

Published: 2017-03-23

Total Pages: 383

ISBN-13: 1107073448

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7.1 Introduction -- 7.2 Rotational Energy Exchange Models -- 7.2.1 Constant Collision Number -- 7.2.2 The Parker Model -- 7.2.3 Variable Probability Exchange Model of Boyd -- 7.2.4 Nonequilibrium Direction Dependent Model -- 7.2.5 Model Results -- 7.3 Vibrational Energy Exchange Models -- 7.3.1 Constant Collision Number -- 7.3.2 The Millikan-White Model -- 7.3.3 Quantized Treatment for Vibration -- 7.3.4 Model Results -- 7.4 Dissociation Chemical Reactions -- 7.4.1 Total Collision Energy Model -- 7.4.2 Redistribution of Energy Following a Dissociation Reaction -- 7.4.3 Vibrationally Favored Dissociation Model -- 7.5 General Chemical Reactions -- 7.5.1 Reaction Rates and Equilibrium Constant -- 7.5.2 Backward Reaction Rates in DSMC -- 7.5.3 Three-Body Recombination Reactions -- 7.5.4 Post-Reaction Energy Redistribution and General Implementation -- 7.5.5 DSMC Solutions for Reacting Flows -- 7.6 Summary -- Appendix A: Generating Particle Properties -- Appendix B: Collisional Quantities -- Appendix C: Determining Post-Collision Velocities -- Appendix D: Macroscopic Properties -- Appendix E: Common Integrals -- References -- Index

An Introduction to Materials Engineering and Science for Chemical and Materials Engineers
An Introduction to Materials Engineering and Science for Chemical and Materials Engineers

Author: Brian S. Mitchell

Publisher: John Wiley & Sons

Published: 2004-01-16

Total Pages: 976

ISBN-13: 0471473367

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An Introduction to Materials Engineering and Science for Chemical and Materials Engineers provides a solid background in materials engineering and science for chemical and materials engineering students. This book: Organizes topics on two levels; by engineering subject area and by materials class. Incorporates instructional objectives, active-learning principles, design-oriented problems, and web-based information and visualization to provide a unique educational experience for the student. Provides a foundation for understanding the structure and properties of materials such as ceramics/glass, polymers, composites, bio-materials, as well as metals and alloys. Takes an integrated approach to the subject, rather than a "metals first" approach.