Transport Properties and Potential Energy Models for Monatomic Gases

Transport Properties and Potential Energy Models for Monatomic Gases

Li, Hui; McCourt, Frederick R. W.

Oxford University Press

01/2024

352

Dura

Inglês

9780198888253

15 a 20 dias

Descrição não disponível.
1: THE MONATOMIC BOLTZMANN EQUATION
1.1: The Boltzmann equation for dilute monatomic gases
1.2: Equations of change and collisional invariants
1.3: Entropy production
1.4: The equilibrium state
1.5: Linearization of the Boltzmann equation
1.6: The Boltzmann equations for mixtures
2: SOLUTIONS OF THE BOLTZMANN EQUATION
2.1: Chapman-Enskog solution for pure monatomic gases
2.2: Chapman-Enskog solution for binary mixtures
2.3: Matrix approximations for the inverse collision operator
2.4: The transport coefficients
2.5: Effective cross sections
2.6: Dynamical models for binary atomic interactions
2.7: The moment method
2.8: Kinetic models
3: REALISTIC INTERATOMIC POTENTIAL ENERGY FUNCTIONS
3.1: The need for realistic potential energy functions
3.2: The Mie/Lennard-Jones potential energy functions
3.3: Hartree-Fock plus damped dispersion semi-empirical models
3.4: Exchange-coulomb semi-empirical models
3.5: Modern empirical multiproperty-fit potential energy functions
3.6: Direct inversions of experimental data
3.7: Ab initio calculation of potential energy functions
3.8: Interactions between pairs of ground-term noble gas atoms
3.9: Interactions involving open-shell atoms
4: COMPARISON BETWEEN THEORY AND EXPERIMENT
4.1: Comparison between theory and experiment
4.2: Correlation concept
4.3: Binary mixtures of noble gases
5: FROM AB INITIO CALCULATIONS TO SPECTROSCOPIC AND THERMOPHYSICAL PROPERTIES
5.1: Ab initio calculations
5.2: Fitting of analytic potential energy functions
5.3: Spectroscopic properties
5.4: Thermophysical properties
Appendix A: MATHEMATICAL APPENDICES
A.1: Maxwellian averages
A.2: Special functions
A.3: Vectors and tensors
A.4: Spherical harmonics and spherical tensors
References
Index
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