Introduction to Statistical Thermodynamics

Part I Microscopic and Macroscopic Theories.- Why Statistical Thermodynamics?.- Energies of Molecules.- Dynamics of molecules.- The laws of thermodynamics.- Principle of maximum entropy.- Part II Fundamentals of Classical Statistical Thermodynamics.- The microscopic entropy.- The Boltzmann distribution.- The canonical distribution.- The canonical ensemble.- Non-interacting and interacting systems.- Part III Application of Classical Statistical Thermodynamics.- State sum (partition function) for non-interacting systems.- Application to ideal gases of polyatomic molecules.- Chemical equilibria and kinetics.- Application to solid bodies.- Application to 2-level systems: spin systems.- Spatial distributions.- Thermodynamics of Real Gases, Liquids and Polymers.- Part IV Quantum statistics and the electronic structure of molecules.- Quantum Statistics.- Electron densities and electron correlations.- Wave function based methods.- Density Functional Theory (DFT).- Non-covalent interactions.

Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.

• Química quântica e teórica
• Química física
• Termodinâmica e calor
• A física quântica (mecânica quântica e teoria quântica de campos)

Thermodynamics textbook;Statistical Mechanics textbook;Entropy;Canocial Ensemble;Classical Statistical Mechanics;Quantum Statistical Mechanics