|
|
INVITATION TO PHYSICAL CHEMISTRY
Krishna Vemulapalli, Gopala
|
Últimas novedades
química física
|
|
Prof Emeritus Vemulapalli passed away a month before the publication of the book. He was a Professor at the Chemistry Department of University of Arizona. He taught physical chemistry at all levels for thirty-five years before retirement. He has published articles in physical chemistry and the philosophy of science.
This is a unique book with a different aim from other books on the subject. The idea is to provide readers with the “big picture” first, yet at a level that helps further the study of physical chemistry. The text covers all the important topics in physical chemistry — thermodynamics, statistical thermodynamics, quantum chemistry, and chemical kinetics — staying rigorously close to the basic theory, using appropriate mathematics but avoiding long derivations. Moreover, the book is supplemented by a CD-ROM to make it more comprehensive, interactive and useful for a wider audience. The CD-ROM contains examples, extended discussion, exercises and details of important derivations to reinforce understanding of physical chemistry.
Contents:
Quantum Chemistry:
The Schrödinger Equation, Waves and Wave Packets
Spectroscopy: Rotations and Vibrations
Atoms
Molecules
Chemical Thermodynamics:
Entropy and Equilibrium
The Fundamental Equation of Thermodynamics
Thermodynamic Potentials
Chemical Potential
Statistical Thermodynamics
States of Matter
Kinetics:
The Kinetic Molecular Theory of Gases
Chemical Kinetics
Readership: Instructors and students in chemistry and materials science, and readers interested in important ideas in physical science.
|
| indíce |
Contents
Acknowledgments vii
Preface ix
Part A. Quantum Chemistry 1
Chapter 1. The Schr¨odinger Equation, Waves
and Wave Packets 3
1.1 Critical Experiment . . . . . . . . . . . 3
1.2 Wave Packets . . . . . . . . . . . . . . . 6
1.3 Wave Functions and Wave Packets:
A Tutorial . . . . . . . . . . . . . . . . . 10
1.4 The de Broglie Principle . . . . . . . . . 14
1.5 Particle in a Box . . . . . . . . . . . . . 15
1.6 The Schr¨odinger Equation . . . . . . . . 17
1.7 The Uncertainty Principle . . . . . . . . 21
1.8 Interpretation of the Wave Function . . 22
1.9 Particle in a Three-Dimensional Box . . 29
1.10 Quantum Wells, Wires and Dots . . . . 30
Chapter 2. Spectroscopy: Rotations and Vibrations 33
2.1 The Harmonic Oscillator Model . . . . . 35
2.2 The Rigid Rotor . . . . . . . . . . . . . 38
2.3 DiatomicMolecules . . . . . . . . . . . . 40
2.4 Triatomic Molecules: Carbon Dioxide
andWater . . . . . . . . . . . . . . . . . 47
xiii
xiv Invitation to Physical Chemistry
2.5 Angular Momentum and the Dipole
Moments . . . . . . . . . . . . . . . . . 50
2.6 Interstellar Molecules . . . . . . . . . . . 54
Chapter 3. Atoms 57
3.1 The Hydrogen Atom . . . . . . . . . . . 57
3.2 Spin . . . . . . . . . . . . . . . . . . . . 67
3.3 The HeliumAtom . . . . . . . . . . . . 70
3.4 Excited Terms of Helium . . . . . . . . 75
3.5 Symmetry and Rotational Spectra . . . 77
Chapter 4. Molecules 79
4.1 The H+2 Molecule . . . . . . . . . . . . . 79
4.2 Methodology of Quantum Calculations . 83
4.3 Homonuclear Diatomic Molecules . . . . 86
4.4 Heteronuclear Diatomic Molecules . . . 92
4.5 The Valence Bond Theory . . . . . . . . 94
4.6 Spectra of DiatomicMolecules . . . . . 94
Part B. Chemical Thermodynamics 103
Chapter 5. Entropy and Equilibrium 105
5.1 Entropy: A Measure of Energy
Shuffling . . . . . . . . . . . . . . . . . . 107
5.2 Chemical and Physical Changes . . . . . 109
5.3 Entropy:Wider Context . . . . . . . . . 113
5.4 Entropy and Heat . . . . . . . . . . . . 116
Chapter 6. The Fundamental Equation of Thermodynamics 118
6.1 The Fundamental Equation . . . . . . . 118
6.2 A Brief History . . . . . . . . . . . . . . 120
6.3 Intermolecular Energy . . . . . . . . . . 126
6.4 Nature of Theory in Thermodynamics . 130
6.5 What is ActuallyMeasured? . . . . . . 131
6.6 What is Deduced? . . . . . . . . . . . . 136
Contents xv
Chapter 7. Thermodynamic Potentials 139
7.1 Important Functions . . . . . . . . . . . 139
7.2 Applications . . . . . . . . . . . . . . . . 144
7.3 What Do TheyMean? . . . . . . . . . . 147
Chapter 8. Chemical Potential 150
8.1 Chemical Potential and Equilibrium . . 151
8.2 Derivation of Chemical Potential
Equation . . . . . . . . . . . . . . . . . 155
8.3 Two Phases, One Component . . . . . . 156
8.4 Two Phases, Two Components . . . . . 158
8.5 Reaction Equilibrium . . . . . . . . . . 163
Chapter 9. Statistical Thermodynamics 167
9.1 The Boltzmann Distribution
Function . . . . . . . . . . . . . . . . . . 167
9.2 Thermodynamic Properties . . . . . . . 169
9.3 Partition Functions . . . . . . . . . . . . 171
9.4 Heat Capacities . . . . . . . . . . . . . . 175
9.5 Chemical Equilibrium . . . . . . . . . . 177
Chapter 10. States of Matter 181
10.1 Non-Ideal Gases: Pair-Wise
Interaction . . . . . . . . . . . . . . . . 181
10.2 Continuity of the Fluid State . . . . . . 183
10.3 The Liquid State . . . . . . . . . . . . . 186
Part C. Kinetics 191
Chapter 11. The Kinetic Molecular Theory of Gases 193
11.1 Distribution of Speeds . . . . . . . . . . 193
11.2 Collisions . . . . . . . . . . . . . . . . . 195
11.3 Transport . . . . . . . . . . . . . . . . . 198
xvi Invitation to Physical Chemistry
Chapter 12. Chemical Kinetics 202
12.1 Unimolecular Reactions in the
Gas Phase . . . . . . . . . . . . . . . . . 203
12.2 Testing Rate Laws . . . . . . . . . . . . 207
12.3 Bimolecular Reactions in Solution . . . 209
12.4 Relaxation Method for Determining Rate
Constants . . . . . . . . . . . . . . . . . 210
12.5 Comments on Rate Theories . . . . . . 213
12.6 Radiation andMatter . . . . . . . . . . 215
Index 221 |
|
|