PHYSICAL CHEMISTRY Textbook

Chapter 1: Thermodynamics

1.1 Physical Chemistry

1.2 Thermodynamics

1.3 Temperature

1.4 The Mole

1.5 Ideal Gases

1.6 Differential Calculus

1.7 Equations of State

1.8 Integral Calculus

Chapter 2: The First Law of Thermodynamics

2.1 Classical Mechanics

2.2 P-V Work

2.3 Heat

2.4 The First Law of Thermodynamics

2.5 Enthalpy

2.6 Heat Capacities

2.7 The Joule and Joule–Thomson Experiments

2.8 Perfect Gases and the First Law

2.9 Calculation of First-Law Quantities

2.10 State Functions and Line Integrals

2.11 The Molecular Nature of Internal Energy

Chapter 3: The Second Law of Thermodynamics

3.1 The Second Law of Thermodynamics

3.2 Heat Engines

3.3 Entropy

3.4 Calculation of Entropy Changes

3.5 Entropy, Reversibility, and Irreversibility

3.6 The Thermodynamic Temperature Scale

3.7 What Is Entropy?

3.8 Entropy, Time, and Cosmology

Chapter 4: Material Equilibrium

4.1 Material Equilibrium

4.2 Entropy and Equilibrium

4.3 The Gibbs and Helmholtz Energies

4.4 Thermodynamic Relations for a System in Equilibrium

4.5 Calculation of Changes in State Functions

4.6 Chemical Potentials and Material Equilibrium

4.7 Phase Equilibrium

4.8 Reaction Equilibrium

4.9 Entropy and Life

Chapter 5: Standard Thermodynamic Functions of Reaction

5.1 Standard States of Pure Substances

5.2 Standard Enthalpy of Reaction

5.3 Standard Enthalpy of Formation

5.4 Determination of Standard Enthalpies of Formation and Reaction

5.5 Temperature Dependence of Reaction Heats

5.6 Use of a Spreadsheet to Obtain a Polynomial Fit

5.7 Conventional Entropies and the Third Law

5.8 Standard Gibbs Energy of Reaction

5.9 Thermodynamics Tables

5.10 Estimation of Thermodynamic Properties

5.11 The Unattainability of Absolute Zero

Chapter 6: Reaction Equilibrium in Ideal Gas Mixtures

6.1 Chemical Potentials in an Ideal Gas Mixture

6.2 Ideal-Gas Reaction Equilibrium

6.3 Temperature Dependence of the Equilibrium Constant

6.4 Ideal-Gas Equilibrium Calculations

6.5 Simultaneous Equilibria

6.6 Shifts in Ideal-Gas Reaction Equilibria

Chapter 7: One-Component Phase Equilibrium and Surfaces

7.1 The Phase Rule

7.2 One-Component Phase Equilibrium

7.3 The Clapeyron Equation

7.4 Solid–Solid Phase Transitions

7.5 Higher-Order Phase Transitions

7.6 Surfaces and Nanoparticles

7.7 The Interphase Region

7.8 Curved Interfaces

7.9 Colloids

Chapter 8: Real Gases

8.1 Compression Factors

8.2 Real-Gas Equations of State

8.3 Condensation

8.4 Critical Data and Equations of State

8.5 Calculation of Liquid–Vapor Equilibria

8.6 The Critical State

8.7 The Law of Corresponding States

8.8 Differences Between RealGas and Ideal-Gas Thermodynamic Properties

8.9 Taylor Series

Chapter 9: Solutions

9.1 Solution Composition

9.2 Partial Molar Quantities

9.3 Mixing Quantities

9.4 Determination of Partial Molar Quantities

9.5 Ideal Solutions

9.6 Thermodynamic Properties of Ideal Solutions

9.7 Ideally Dilute Solutions

9.8 Thermodynamic Properties of Ideally Dilute Solutions

Chapter 10: Non-ideal Solutions

10.1 Activities and Activity Coefficients

10.2 Excess Functions

10.3 Determination of Activities and Activity Coefficients

10.4 Activity Coefficients on the Molality and Molar Concentration Scales

10.5 Solutions of Electrolytes

10.6 Determination of Electrolyte Activity Coefficients

10.7 The Debye–Hückel Theory of Electrolyte Solutions

10.8 Ionic Association

10.9 Standard-State Thermodynamic Properties of Solution Components

10.10 Nonideal Gas Mixtures

Chapter 11: Reaction Equillibrium in Nonideal Systems

11.1 The Equilibrium Constant

11.2 Reaction Equilibrium in Nonelectrolyte Solutions

11.3 Reaction Equilibrium in Electrolyte Solutions

11.4 Reaction Equilibria Involving Pure Solids or Pure Liquids

11.5 Reaction Equilibrium in Nonideal Gas Mixtures

11.6 Computer Programs for Equilibrium Calculations

11.7 Temperature and Pressure Dependences of the Equilibrium Constant

11.8 Summary of Standard States

11.9 Gibbs Energy Change for a Reaction

11.10 Coupled Reactions

Chapter 12: Multi-component Phase Equilibrium

12.1 Colligative Properties

12.2 Vapor-Pressure Lowering

12.3 Freezing-Point Depression and Boiling-Point Elevation

12.4 Osmotic Pressure

12.5 Two-Component Phase Diagrams

12.6 Two-Component Liquid–Vapor Equilibrium

12.7 Two-Component Liquid–Liquid Equilibrium

12.8 Two-Component Solid–Liquid Equilibrium

12.9 Structure of Phase Diagrams

12.10 Solubility

12.11 Computer Calculation of Phase Diagrams

12.12 Three-Component Systems

Chapter 13: Electrochemical Systems

13.1 Electrostatics

13.2 Electrochemical Systems

13.3 Thermodynamics of Electrochemical Systems

13.4 Galvanic Cells

13.5 Types of Reversible Electrodes

13.6 Thermodynamics of Galvanic Cells

13.7 Standard Electrode Potentials

13.8 Liquid-Junction Potentials

13.9 Applications of EMF Measurements

13.10 Batteries

13.11 Ion-Selective Membrane Electrodes

13.12 Membrane Equilibrium

13.13 The Electrical Double Layer

13.14 Dipole Moments and Polarization

13.15 Bio electrochemistry

Chapter 14: Kinetic Theory of Gases

14.1 Kinetic–Molecular Theory of Gases

14.2 Pressure of an Ideal Gas

14.3 Temperature

14.4 Distribution of Molecular Speeds in an Ideal Gas

14.5 Applications of the Maxwell Distribution

14.6 Collisions with a Wall and Effusion

14.7 Molecular Collisions and Mean Free Path

14.8 The Barometric Formula

14.9 The Boltzmann Distribution Law

14.10 Heat Capacities of Ideal Polyatomic Gases

Chapter 15: Transport Processes

15.1 Kinetics

15.2 Thermal Conductivity

15.3 Viscosity

15.4 Diffusion and Sedimentation

15.5 Electrical Conductivity

15.6 Electrical Conductivity of Electrolyte Solutions

Chapter 16: Reaction Kinetics

16.1 Reaction Kinetics

16.2 Measurement of Reaction Rates

16.3 Integration of Rate Laws

16.4 Finding the Rate Law

16.5 Rate Laws and Equilibrium Constants for Elementary Reactions

16.6 Reaction Mechanisms

16.7 Computer Integration of Rate Equations

16.8 Temperature Dependence of Rate Constants

16.9 Relation between Rate Constants and Equilibrium Constants for Composite Reactions

16.10 The Rate Law in Nonideal Systems

16.11 Unimolecular Reactions

16.12 Trimolecular Reactions

16.13 Chain Reactions and FreeRadical Polymerizations

16.14 Fast Reactions

16.15 Reactions in Liquid Solutions

16.16 Catalysis

16.17 Enzyme Catalysis

16.18 Adsorption of Gases on Solids

16.19 Heterogeneous Catalysis

Chapter 17: Quantum Mechanics

17.1 Blackbody Radiation and Energy Quantization

17.2 The Photoelectric Effect and Photons

17.3 The Bohr Theory of the Hydrogen Atom

17.4 The de Broglie Hypothesis

17.5 The Uncertainty Principle

17.6 Quantum Mechanics

17.7 The Time-Independent Schrödinger Equation

17.8 The Particle in a OneDimensional Box

17.9 The Particle in a ThreeDimensional Box

17.10 Degeneracy

17.11 Operators

17.12 The One-Dimensional Harmonic Oscillator

17.13 Two-Particle Problems

17.14 The Two-Particle Rigid Rotor

17.15 Approximation Methods

17.16 Hermitian Operators

Chapter 18: Atomic Structure

18.1 Units

18.2 Historical Background

18.3 The Hydrogen Atom

18.4 Angular Momentum

18.5 Electron Spin

18.6 The Helium Atom and the Spin–Statistics Theorem

18.7 Total Orbital and Spin Angular Momenta

18.8 Many-Electron Atoms and the Periodic Table

18.9 Hartree–Fock and Configuration-Interaction Wave Functions

Chapter 19: Molecular Electronic Structure

19.1 Chemical Bonds

19.2 The Born–Oppenheimer Approximation

19.3 The Hydrogen Molecule Ion

19.4 The Simple MO Method for Diatomic Molecules

19.5 SCF and Hartree–Fock Wave Functions

19.6 The MO Treatment of Polyatomic Molecules

19.7 The Valence-Bond Method

19.8 Calculation of Molecular Properties

19.9 Accurate Calculation of Molecular Electronic Wave Functions and Properties

19.10 Density-Functional Theory (DFT)

19.11 Semiempirical Methods

19.12 Performing Quantum Chemistry Calculations

19.13 The Molecular-Mechanics (MM) Method

Chapter 20: Spectroscopy and Photochemistry

20.1 Electromagnetic Radiation

20.2 Spectroscopy

20.3 Rotation and Vibration of Diatomic Molecules

20.4 Rotational and Vibrational Spectra of Diatomic Molecules

20.5 Molecular Symmetry

20.6 Rotation of Polyatomic Molecules

20.7 Microwave Spectroscopy

20.8 Vibration of Polyatomic Molecules

20.9 Infrared Spectroscopy

20.10 Raman Spectroscopy

20.11 Electronic Spectroscopy

20.12 Nuclear-Magnetic Resonance Spectroscopy

20.13 Electron-Spin-Resonance Spectroscopy

20.14 Optical Rotatory Dispersion and Circular Dichroism

20.15 Photochemistry

20.16 Group Theory

Chapter 21: Statistical Mechanics

21.1 Statistical Mechanics

21.2 The Canonical Ensemble

21.3 Canonical Partition Function for a System of Noninteracting Particles

21.4 Canonical Partition Function of a Pure Ideal Gas

21.5 The Boltzmann Distribution Law for Noninteracting Molecules

21.6 Statistical Thermodynamics of Ideal Diatomic and Monatomic Gases

21.7 Statistical Thermodynamics of Ideal Polyatomic Gases

21.8 Ideal-Gas Thermodynamic Properties and Equilibrium Constants

21.9 Entropy and the Third Law of Thermodynamics

21.10 Intermolecular Forces

21.11 Statistical Mechanics of Fluids

Chapter 22: Theories of Reaction Rates

22.1 Hard-Sphere Collision Theory of Gas-Phase Reactions

22.2 Potential-Energy Surfaces

22.3 Molecular Reaction Dynamics

22.4 Transition-State Theory for Ideal-Gas Reactions

22.5 Thermodynamic Formulation of TST for Gas-Phase Reactions

22.6 Unimolecular Reactions

22.7 Trimolecular Reactions

22.8 Reactions in Solution

Chapter 23: Solids and Liquids

23.1 Solids and Liquids

23.2 Polymers

23.3 Chemical Bonding in Solids

23.4 Cohesive Energies of Solids

23.5 Theoretical Calculation of Cohesive Energies

23.6 Interatomic Distances in Crystals

23.7 Crystal Structures

23.8 Examples of Crystal Structures

23.9 Determination of Crystal Structures

23.10 Determination of Surface Structures

23.11 Band Theory of Solids

23.12 Statistical Mechanics of Crystals

23.13 Defects in Solids

23.14 Liquids