Transport Properties and Potential Energy Models for Monatomic Gases

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