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

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