Table of Content
Physical Chemistry at the Macroscopic Scale: Statistical Mechanics, Thermodynamics, and Kinetics A Introduction: Tools from Math and Physics A.1 Mathematics A.2 Classical Physics I Extrapolation to Macroscopic Systems 1 Introduction to Statistical Mechanics: Building Up to the Bulk 1.1 Properties of the Microscopic World 1.2 Bulk properties 1.3 Entropy 1.4 The ideal gas and translational states 1.5 The ideal gas law Problems 2 Partitioning the Energy 2.1 Separation of Degrees of Freedom 2.2 The equipartition principle 2.3 Vibrational and rotational partition functions 2.4 The Translational Density of States 2.5 The translational partition function 2.6 Temperature and the Maxwell-Boltzmann distribution Problems 3 Statistical Mechanics and Molecular Interactions 3.1 Extrapolation to many molecules 3.2 Pressure of a non-ideal fluid 3.3 Averaging the dipole-dipole potential 3.4 Bose-Einstein and Fermi-Dirac statistics 4 Mass Transport 4.1 Statistics of molecular collisions 4.2 Transport without external forces 4.3 Transport with external forces Problems 5 Energy transport 5.1 Conduction, convection, and radiation 5.2 Blackbody radiation 5.3 Spectroscopic intensities 5.4 Laser dynamics 5.5 Spectroscopic linewidths 5.6 Conclusion to Part IV: E, U, Ndof , S Problems II Non-Reactive Macroscopic Systems 6 Introduction to Thermodynamics 6.1 The first law of thermodynamics 6.2 Approximations and assumptions 6.3 Mathematical tools 6.4 Computer simulations Problems 7 Energy and Enthalpy 7.1 Heat capacities 7.2 Expansion of gases Problems 8 Entropy 8.1 Entropy of an ideal gas 8.2 The second law of thermodynamics 8.3 The third law of thermodynamics 8.4 Ideal mixing Problems 9 Phase Transitions and Phase Equilibrium 9.1 Phase transitions 9.2 Thermodynamics of phase transitions 9.3 Chemical potentials 9.4 Statistical mechanics of vaporization 9.5 Phase diagrams Problems 10 Solutions 10.1 The standard states 10.2 Statistical mechanics of solutions 10.3 Thermodynamics of solutions 10.4 Ionic solutions 10.5 Applications of the activity 10.6 Conclusion to Part V: E, U, Ndof , S Problems III Reactive Systems 11 Chemical Thermodynamics 11.1 Introduction to chemical reactions 11.2 Enthalpies of reaction 11.3 Spontaneous chemical reactions 11.4 Chemical equilibrium Problems 12 Elementary Reactions 12.1 Reaction rates 12.2 Simple collision theory 12.3 Transition state theory 12.4 Diffusion-limited rate constants 12.5 Rate laws for elementary reactions Problems 13 Multi-step Reactions 13.1 Elements of multi-step reactions 13.2 Approximations in kinetics 13.3 Chain reactions Problems 14 Reaction Networks 14.1 Atmospheric chemistry 14.2 Combustion chemistry 14.3 Molecular astrophysics 14.4 Enzyme catalysis 14.5 Conclusion to the text
