Transport Properties and Potential Energy Models for Monatomic Gases
Language: English
Published by Oxford University Press, 2024
- Hardcover
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- Title
- Transport Properties and Potential Energy Models for Monatomic Gases
- Author
- Li, Hui; McCourt, Frederick R. W.
- Publisher
- Oxford University Press
- Publication year
- 2024
- Condition
- As New
- Binding
- Hardcover
- Language
- English
- ISBN 10
- 0198888252
- ISBN 13
- 9780198888253
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.
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About the Author
Frederick R. W. McCourt achieved his PhD from the University of British Columbia, Canada. He was a postdoctoral fellow at the University of Leiden, The Netherlands. He was an assistant, associate, and full professor of Chemistry at the University of Waterloo, Canada, and is now a Distinguished Professor Emeritus of Chemistry. He was awarded an Alfred P. Sloan Fellowship in 1973. His research interests include the transport properties, interaction potential energy functions, and potential energy surfaces of gases. He has more than 150 book and journal publications in this field.
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