Introduction: Gas Laws and Measurement:
- Unit systems
- The Ideal Gas Law
- Real Gas Behavior
- Empirical Equations of State
- Virial
- Van der Waals
- Redlich-Kwong
- Parameterization by critical point
Kinetic Theory
- Surface Collision and Frequency
- Kinetic Theory Pressure
- Boltzmann Distribution and Average Values
- Grahams Law of Diffusion
- Collisions between Particles and Threshold Energies
- Calculation of a Simple Rate Coefficient
Thermodynamics
- Fundamentals
- System, Surroundings and Universe
- Adiabatic, Isochoric and Isobaric processes
- Heat and Work
- Reversible and Irreversible Processes
- State Functions
- Heat Capacity
- First law of Thermodynamics
- Calorimetry
- Adiabatic Processes
- Enthalpy
- Reaction Enthalpies
- Reference States and Heats of Formation
- Phase Changes
- Reaction Enthalpies at Different Temperatures
Entropy and the Gibbs Free energy
- Entropy
- Molecular Interpretation of Entropy
- Thermodynamic connection of Entropy
- Second Law of Thermodynamics
- Third Law of Thermodynamics
- Entropy Changes for Reaction Systems
- Entropy Changes for Reaction Systems at Different Temperatures
Gibbs Free Energy
Equilibrium Reaction Systems
- Gibbs Free Energy and the Equilibrium Constant
- Computation of the Equilibrium Constant at 298.15 K.
- Temperature Dependence of the Equilibrium Constant
- Pressure Dependence of the Equilibrium Constant
- Non-ideal Conditions and the Fugacity
Phase Transitions
- Gibbs Free Energy and Phase Equilibria
- Variation with Temperature and Pressure
- The Clapyron Equation
- Transitions involving Condensed Phases
- Transitions involving Gases - The Clausius-Clapyron equation.
- Phase Diagrams
Solutions and Activities
- Activity and the Activity Coefficient
- Ideal and Non-Ideal Solution Systems
- Boiling Point Diagrams
- Calculation of activity coefficients
- Raoult’s Law and Henry’s Law
- Boiling Point Elevation/Freezing Point Depression
- Osmotic Pressure
- Debye-Huckel Theory
- Gibbs-Duhem
Kinetics
- Phenomenological Kinetics
- Concerted Reactions
- Experimental Methods of the Determination of a Rate Law
- Temperature Dependence and the Arrhenius Law
- Other reactions of Interest
- Equilibrium
- Parallel Reactions
- Consecutive Reactions
- Mechanisms
- Approximation Methods - Steady-State and Prior-Equilibrium
- Enzymes
- Michaelis-Menton Mechanism
- Enzyme Inhibition
Introduction to Quantum Mechanics
- The birth of quantum theory, historical background and the failures of classical mechanics.
- Blackbody radiation
- The photoelectric effect
- Atomic Spectra
- Bohr theory of the atom.
- Advent of wave theory
- Postulates of quantum mechanics.
- Heisenberg Uncertainty Principle
- The Schrodinger wave equation.
- Quantum Mechanical Tunneling
- Application to Motions
- Translational
- Rotational
- Vibrational
Statistical Mechanics
- Molecular Quantum State Distributions
- The Molecular Partition Function
- Application to Translational, Rotational and Vibrational Motion
- Effects of Electronic and Nuclear
- Canonical Partition Function
- Computing Thermodynamic Quantities
- Computation of the Equilibrium Constant
Quantum Mechanical View of Atoms
- Hydrogen-Like Atoms
- Atomic Spectra
- Orbitals and Probability
- Behavior in a Magnetic Field
- Spin and the Spin Quantum Number
- Atomic Term Symbols
- Multi-electronic Atoms
- Electron Correlation and Relativistic Effects
Quantum Mechanical View of Molecules
- Valence Bond and Molecular Orbital Theories
- Hydrogen Molecule Ion
- Multi-electronic Molecules
- HF, MP and CI calculations
- General Summary of Many Electron systems
Spectroscopy
- Absorption of Radiation and Intensity
- Selection Rules
- Line Width
- Intensity and Population of States
- Rotational Spectroscopy
- Vibrational Spectroscopy
- Co-Spectra
- Electronic Spectroscopy and the Franck-Condon Principle
- Lasers
