Chemical Thermodynamics of Materials: Macroscopic and Microscopic Aspects

1. Thermodynamic foundations.

1.1 Basic concepts.

1.2 The first law of thermodynamics.

1.3 The second and third laws of thermodynamics.

1.4 Open systems and non-expansion work.

References.

Further reading.

2. Single-component systems.

2.1 Phases, phase transitions and phase diagrams.

2.2 The gas phase.

2.3 Condensed phases.

References.

Further reading.

3. Solution thermodynamics.

3.1 Fundamental definitions.

3.2 Thermodynamics of solutions.

3.3 Standard states.

3.4 Analytical solution models.

3.5 Integration of the Gibbs-Duhem equation.

References.

Further reading.

4. Phase diagrams.

4.1 Binary phase diagrams from thermodynamics.

4.2 Multi-component systems.

4.3 Predominance diagrams.

References.

Further reading.

5. Phase stability.

5.1 Supercooling of liq uids - superheating of crystals.

5.2 Fluctuations and instability.

5.3 Metastable phase equilibria and kinetics.

References.

Further reading.

6. Surfaces, interfaces and adsorption.

6.1 Thermodynamics of interfaces.

6.2 Surface effects on heterogeneous phase equilibria.

6.3 Adsorption and segregation.

References.

Further reading.

7. Trends in enthalpy of formation.

7.1 Compound energetics: trends.

7.2 Compound energetics: rationalization schemes.

7.3 Solution energetics: trends and rationalization schemes.

References.

Further reading.

8. Heat capacity and entropy.

8.1 Simple models for molecules and crystals.

8.2 Lattice heat capacity.

8.3 Vibrational entropy.

8.4 Heat capacity contributions of electronic origin.

8.5 Heat capacity of disordered systems.

References.

Further reading.

9. Atomistic solution models.

9.1 Lattice models for solutions.

9.2 Solutions with more than one sub-lattice.

9.3 Order-disorder.

9.4 Non-stoichiometric compounds.

References.

Further reading.

10. Experimental thermodynamics.

10.1 Determination of temperature and pressure.

10.2 Phase equilibria.

10.3 Energetic properties.

10.4 Volumetric techniques.

Further reading.

11. Thermodynamics and materials modelling (by Neil L. Allan).

11.1 Interatomic potentials and energy minimization.

11.2 Monte Carlo and molecular dynamics.

11.3 Quantum mechanical methods.

11.4 Applications of quantum mechanical methods.

11.5 Discussion.

References.

Further Reading.

Symbols and Data.

Index.