Transport Properties and Potential Energy Models for Monatomic Gases

The first two chapters of this book provide an update and outgrowth of the 1990 monograph Nonequilibrium Phenomena in Polyatomic Gases, discussing improvements in the experimental determination of transport properties of dilute gases and the need for accurate interatomic potential energy functions. Chapter 3 discusses the quantum chemical ab initio determination of binary atomic interaction energies and their analytical representation, while Chapter 4 focuses on connections between theory and experiment. Chapter 5 provides a reference for obtaining the spectroscopic and thermophysical properties of a specific molecular system theoretically.

Format: Hardback
Length: 352 pages
Publication date: 04 January 2024
Publisher: Oxford University Press

The first two chapters of this book serve as an update and expansion of the monograph "Nonequilibrium Phenomena in Polyatomic Gases" published by OUP in 1990. These chapters respond to significant advancements in the experimental determination of transport properties in dilute gases over the past 30 years. The experimental techniques have improved to the point where calculations at the second Chapman-Cowling approximation level are necessary to produce computed results that fall within the current experimental uncertainties reported.

Chapter 3 is dedicated to realistic interatomic potential energy functions, and it begins by discussing the need for more accurate representations of these functions. The direct inversion of microscopic data, such as spectroscopic transition frequencies and atomic beam scattering, as well as bulk property data, such as 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 explored, followed by a thorough examination of the interaction energies between pairs of noble gas atoms.

Chapter 4 focuses on the connections between theory and experiment, including a detailed discussion of pure noble gases and their binary mixtures. Chapter 5 emphasizes the theoretical step-by-step approach to obtaining the spectroscopic and thermophysical properties of a specific molecular system, serving as a reference for the specific theoretical calculation work.

Weight: 820g
Dimension: 250 x 175 x 22 (mm)
ISBN-13: 9780198888253