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| Introduction to Statistical Thermodynamics | |
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| Probabistic Description | |
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| Macrostates and Microstates | |
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| Quantum Mechanics Description of Microstates | |
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| The Postulates of Statistical Mechanics | |
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| The Boltzmann Energy Distribution | |
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| The Canonical Partition function | |
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| Some Properties of the Canonical Partition Function | |
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| Relationship of the Canonical Partition Function to Thermodynamic Properties | |
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| Canonical Partition Function for a Molecule with Several Independent Energy Modes | |
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| Canonical Partition Function for a Collection of Noninteracting Identical Atoms | |
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| Problems | |
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| The Ideal Monatomic Gas | |
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| Canonical Partition Function for the Ideal Monatomic Gas | |
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| Identification of b as 1/kT. | |
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| General Relationships of the Canonical Partition Function to Other Thermodynamic Quantities | |
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| The Thermodynamic Properties of the Ideal Monatomic Gas | |
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| Energy Fluctuations in the Canonical Ensemble | |
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| The Gibbs Entropy Equation | |
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| Translational State Degeneracy | |
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| Distinguishability, Indistinguishability and the Gibbs' Paradox | |
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| A Classical Mechanics - Quantum Mechanics Comparison: The Maxwell-Boltzmann Distribution of Velocities | |
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| Problems | |
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| Ideal Polyatomic Gas | |
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| The Partition Function for an Ideal Diatomic Gas | |
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| The Thermodynamic Properties of the Ideal Diatomic Gas | |
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| The Partition Function for an Ideal Polyatomic Gas | |
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| The Thermodynamic Properties of an Ideal Polyatomic Gas | |
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| The Heat Capacities of Ideal Gases | |
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| Normal Mode Analysis: the Vibrations of a Linear Triatomic Molecule | |
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| Problems | |
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| Chemical Reactions in Ideal Gases | |
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| The Non-Reacting Ideal Gas Mixture | |
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| Partition Function of a Reacting Ideal Chemical Mixture | |
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| Three Different Derivations of the Chemical Equilibrium Constant in an Ideal Gas Mixture | |
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| Fluctuations in a Chemically Reacting System | |
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| The Chemically Reacting Gas Mixture. The General Case | |
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| An Example. The Ionization of Argon | |
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| Problems | |
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| Other Partition Functions | |
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| The Microcanonical Ensemble | |
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| The Grand Canonical Ensemble | |
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| The Isobaric-Isothermal Ensemble | |
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| The Restricted Grand or Semi Grand Canonical Ensemble | |
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| Comments on the Use of Different Ensembles | |
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| Problems | |
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| Interacting Molecules in a Gas | |
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| The Configuration Integral | |
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| Thermodynamic Properties from the Configuration Integral | |
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| The Pairwise Additivity Assumption | |
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| Mayer Cluster Function and Irreducible Integrals | |
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| The Virial Equation of State | |
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| The Virial Equation of State for Polyatomic Molecules | |
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| Thermodynamic Properties from the Virial Equation of State | |
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| Derivation of Virial Coefficient Formulae from the Grand Canonical Ensemble | |
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| Range of Applicability of the Virial Equation | |
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| Problems | |
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| Intermolecular Potentials and the Evaluation of the Second Virial Coefficient | |
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| Interaction Potentials for Spherical Molecules | |
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| Interaction Potentials Between Unlike Atoms. | |
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| Interaction Potentials for Nonspherical Molecules. | |
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| Engineering Applications/Implications of the Virial Equation of State | |
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| Problems | |
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| Monatomic Crystals | |
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| The Einstein Model of a Crystal | |
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| The Debye Model of a Crystal | |
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| Test of the Einstein and Debye Models for a Crystal | |
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| Sublimation Pressures of Crystals | |
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| A Comment of the Third Law of Thermodynamics | |
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| Problems | |
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| Simple Lattice Models of Fluids | |
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| Introduction | |
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| Development of Equations of State from Lattice Theory | |
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| Activity Coefficient Models for Similar Size Molecules from Lattice Theory | |
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| Flory-Huggins and Other Models for Polymer Systems | |
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| The Ising Model | |
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| Problems | |
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| Interacting Molecules in a Dense Fluid. Configurational Distribution Functions | |
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| Reduced Spatial Probability Density Functions | |
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| Thermodynamic Properties from the Pair Correlation Function | |
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| The Pair Correlation Function (Radial Distribution Function) at Low Density | |
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| Methods of Determination of the Pair Correlation Function at High Density | |
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| Fluctuations in the Number of Particles and the Compressibility Equation | |
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| Determination of the Radial Distribution Function of Fluids using Coherent X-ray or Neutron Scattering | |
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| Determination of the Radial Distribution Functions of Molecular Liquids | |
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| Determination of the Coordination Number from the Radial Distribution Function | |
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| Determination of the Radial Distribution Function of Colloids and Proteins | |
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| Problems | |
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| Integral Equation Theories for the Radial Distribution function | |
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| The Potential of Mean Force | |
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| The Kirkwood Superposition Approximation | |
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| The Ornstein-Zernike Equation | |
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| Closures for the Ornstein-Zernike Equation | |
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| The Percus-Yevick Equation of State | |
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| The Radial Distribution Function and Thermodynamic Properties of Mixtures | |
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| The Potential of Mean Force | |
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| Osmotic Pressure and the Potential of Mean Force for Protein and Colloidal Solutions | |
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| Problems | |
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| Computer Simulation | |
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| Introduction to Molecular Level Simulation | |
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| Thermodynamic Properties from Molecular Simulation | |
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| Monte Carlo Simulation | |
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| Molecular Dynamics Simulation | |
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| Problems | |
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| Perturbation Theory | |
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| Perturbation Theory for the Square-Well Potential | |
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| First Order Barker-Henderson Perturbation Theory | |
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| Second Order Perturbation Theory | |
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| Perturbation Theory Using Other Potentials | |
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| Engineering Applications of Perturbation Theory | |
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| Problems | |
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| Debye-H�ckel Theory of Electrolyte Solutions | |
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| Solutions Containing Ions (and electrons) | |
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| Debye-H�ckel Theory | |
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| The Mean Ionic Activity Coefficient | |
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| Problems | |
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| The Derivation of Thermodynamic Models from the Generalized van der Waals Partition function | |
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| The Statistical Mechanical Background | |
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| Application of the Generalized van der Waals Partition Function to Pure Fluids | |
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| Equation of State for Mixtures from the Generalized van der Waals Partition Function | |
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| Activity Coefficient Models from the Generalized van der Waals Partition Function | |
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| Chain Molecules and Polymers | |
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| Hydrogen-bonding and Associating Fluids | |
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| Problems | |