This book is a physical chemistry textbook that presents the essentials of physical chemistry as a logical sequence from its most modest beginning to contemporary research topics. Many books currently on the market focus on the problem sets with a cursory treatment of the conceptual background and theoretical material, whereas this book is concerned only with the conceptual development of the subject. Comprised of 19 chapters, the book will address ideal gas laws, real gases, the thermodynamics of simple systems, thermochemistry, entropy and the second law, the Gibbs free energy, equilibrium, statistical approaches to thermodynamics, the phase rule, chemical kinetics, liquids and solids, solution chemistry, conductivity, electrochemical cells, atomic theory, wave mechanics of simple systems, molecular orbital theory, experimental determination of molecular structure, and photochemistry and the theory of chemical kinetics.

Donald W. Rogers is Professor Emeritus in the Department of Chemistry and Biochemistry at Long Island University. He is the author of six books and received his PhD from the University of North Carolina.

Ideal Gas Laws
Empirical Gas Laws
The Mole
Equations of State
Dalton's Law
The Mole Fraction
Extensive and Intensive Variables
Graham's Law of Effusion
The Maxwell-Boltzmann Distribution
A Digression on "Space"
The Sum-Over-States or Partition Function
Real Gases: Empirical Equations
The van der Waals Equation
The Virial Equation: A Parametric Curve Fit
The Compressibility Factor
The Critical Temperature
Reduced Variables
The Law of Corresponding States, Another View
Compressibility Factors Calculated From the van der Waals Constants
Boyle's Law Plot for an Ideal Gas (lower curve) and for Nitrogen
Determining the Molecular Weight of a Nonideal Gas
The Thermodynamics of Simple Systems
Conservation Laws and Exact Differentials
Thermodynamic Cycles
Line Integrals in General
Pythagorean Approximation to the Short Arc of a Curve
Thermodynamic States and Systems
State Functions
Reversible Processes and Path Independence
Heat Capacity
Energy and Enthalpy
The Joule and Joule-Thomson Experiments
The Heat Capacity of an Ideal Gas
Adiabatic Work
Thermochemistry
Calorimetry
Energies and Enthalpies of Formation
Standard States
Molecular Enthalpies of Formation
Enthalpies of Reaction
Group Additivity
from Classical Mechanics
The Schroedinger Equation
Variation of with T
Differential Scanning Calorimetry
Entropy and the Second Law
Entropy
Entropy Changes
Spontaneous Processes
The Third Law
The Gibbs Free Energy
Combining Enthalpy and Entropy
Free Energies of Formation
Some Fundamental Thermodynamic Identities
The Free Energy of Reaction
Pressure Dependence of the Chemical Potential
The Temperature dependence of the Free Energy
Equilibrium
The Equilibrium Constant
General Formulation
The Extent of Reaction
Fugacity and Activity
Variation of the Equilibrium Constant with Temperature
Computational Thermochemistry
Chemical Potential: Nonideal Systems
Free Energy and Equilibria in Biochemical Systems
A Statistical Approach to Thermodynamics
Equilibrium
Degeneracy and Equilibrium
Gibbs Free Energy and the Partition Function
Entropy and Probability
The Thermodynamic Functions
The Partition Function of a Simple System
The Partition Function for Different modes of Motion
The Equilibrium Constant: A Statistical Approach
Computational Statistical Thermodynamics
The Phase Rule
Components, Phases, and Degrees of Freedom
Coexistance Curves
The Clausius-Clapeyron Equation
Partial Molar Volume
The Gibbs Phase Rule
Two Component Phase Diagrams
Compound Phase Diagrams
Ternary Phase Diagrams
Chemical Kinetics
First Order Kinetic Rate Laws
Second Order Reactions
Other Reaction Orders
Experimental Determination of the Rate Equation
Reaction Mechanisms
The Influence of Temperature on Rate
Collision Theory
Computational Kinetics
Liquids and Solids
Surface Tension
Heat Capacity of Liquids and Solids
Viscosity of Liquids
Crystals
Bravais Lattices
Computational Geometries
Lattice Energies (Enthalpies)
Solution Chemistry
The Ideal Solution
Raoult's Law
A Digression on Concentration Units Real Solutions
Real Solutions
Henry's Law
Vapor Pressure
Boiling Point Elevation
Osmotic Presure
Colligative Properties
Conductivity
Electrical Potential
Resistivity, Conductivity and Conductance
Molar Conductivity
Partial Ionization: Weak Electrolytes
Ion Mobilities
Faraday's Laws
Mobility and Conductance
The Hittorf Cell
Ion Activities
Electrochemical Cells
The Daniell Cell
Half Cells
Half Cell Potentials
Cell Diagrams
Electrical Work
The Nernst Equation
Concentration Cells
Finding
Solubility and Stability Products
Mean Ionic Activity Coefficients
The Calomel Electrode
The Glass electrode
Early Atomic Theory: A Summary
The Hydrogen Spectrum
Early Quantum Theory
Molecular Quantum Chemistry
The Hartree Independent Electron Method
Wave Mechanics of Simple Systems
Wave Motion
Wave Equations
The Schroedinger Equation
Quantum Mechanical Systems
The Particle in a One Dimensional Box
The Particle in a Cubic Box
The Hydrogen Atom
Breaking Degeneracy
Orthogonality and Overlap
Many Electron Atomic Systems
The Variational Method: Atoms
More on The Variational Method
The Secular Determinant
A Variational Treatment for the Hydrogen Atom: The Energy Spectrum
Helium
Spin
Bosons and Fermions
Slater Determinants
The Aufbau Principle
The SCF Energies of First Row Atoms and Ions
Slater-Type Orbitals STO
Spin-Orbit Coupling
Experimental Determination of Molecular Structure
The Harmonic Oscillator
The Hooke's Law Potential Well
Diatomic Molecules
The Quantum Rigid Rotor
Microwave Spectroscopy: Bond strength and Bond Length
Electronic Spectra
Dipole Moments
Nuclear Magnetic Resonance (NMR)
Electron Spin Resonance
Part A Classical Molecular Modeling
Enthalpy: Additive Methods
Bond Enthalpies
Structure
Geometry and Enthalpy: Molecular Mechanics
Molecular Modeling
The gui
Finding Thermodynamic Properties
The Outside World
Transition States
Quantum Molecular Modeling
The Molecular Variational Method
The Hydrogen Molecule Ion
Higher Molecular Orbital Calculations
Semiempirical Methods
Ab Initio Methods
The Gaussian Basis Set
Stored Parameters
Molecular Orbitals
Methane
Split Valence Basis Sets
Polarized Basis Functions
Heteroatoms: Oxygen
Finding of Methanol
Further Basis Set Improvements
Post Hartree-Fock Calculations
Perturbation
Combined or Scripted Methods
Density Functional Theory (DFT)
Photochemistry and the Theory of Chemical Kinetics
Einstein's Law
Quantum Yields
Bond Dissociation Energies (BDE)
Isodesmic Reactions
The Eyring Theory of Reaction Rates
The Potential Energy Surface
Steady State Pseudo Equilibrium
Entropies of Activation
The Structure of the Activated Complex
Table of Contents provided by Publisher. All Rights Reserved.

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Concise Physical Chemistry

9780470522646

047052264X

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