Chemical Thermodynamics of Materials – Macroscopic and Microscopic Aspects

Professor Svein Stolen was born in 1960. He is Professor at the University of Oslo, Norway in the department of Chemistry. His e-mail address is svein.stolen@kjemi.uio.no Svein has written about 80 scientific research papers, published in journals worldwide. Professor Tor Grande was born in 1963. He is Professor in the Department of Materials Technology, at the Norwegian University of Science and Technology, Trondheim, Norway. His e-mail address is tor.grande@material.ntnu.no Tor has written about 80 scientific research papers, published in journals worldwide.

Preface. 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.