Understanding Physical Chemistry

by Ben-amotz, Dor

• ISBN13: 9781118724491
• ISBN10: 1118724496
• Edition: 1st
• Format: Paperback
• Copyright: 2013-05-06
• Publisher: Wiley

Summary

Understanding Physical Chemistry takes an innovative approach to teaching this fundamentally important subject, by stressing core ideas such as the entropic forces that drive all chemical processes and the quantum states that dictate the structures and colors of atoms and molecules. This elegant and streamlined textbook (of under 400 pages) aims to instill a deep understanding of physical chemistry by focusing exclusively on those ideas that are deemed to be either too important or too interesting to exclude. These core ideas are demystified by explaining where they come from, why they make sense, and how they may be applied to understanding topics ranging from molecular spectroscopy and chemical reactivity to biological self-assembly and liquid computer simulation strategies. Another unique feature of this groundbreaking textbook is the insight it provides into the scientific discovery process by highlighting the personal perspectives and conceptual struggles of people such as Gibbs, Einstein, and Schrödinger, who pioneered this interesting and practically important field.

Author Biography

Dor Ben-Amotz is a professor of Physical Chemistry at Purdue University. He recieved his?B.A. in 1976 from Bennington College, his?M.A. in 1981 from?Brandeis University and his Ph.D. in?1986 from the University of California, Berkeley.?Ben-Amotz was a Postdoctoral Fellow at Exxon Corporate Research Laboratory from 1986-1989. Since beginning his career at Purdue in 1989, he has mentored and provided hands-on research opportunities to more than 40 undergraduate students.

Table of Contents

1 The Basic Ideas 1

1.1 Things to Keep in Mind 1

1.2 Why Is Energy So Important? 5

1.3 Quantization Is Everywhere 12

1.4 Thermal Energies and Populations 22

1.5 Classical Energy Hyperspheres 35

Homework Problems 43

2 Introduction to Chemical Thermodynamics 49

2.1 What Is Thermodynamics Good For? 49

2.2 The Laws of Thermodynamics 53

2.3 Important Ideal Gas Examples 60

Homework Problems 76

3 Axiomatic Foundations of Thermodynamics 81

3.1 Fundamental Equation and Postulates 81

3.2 Temperature and Thermal Equilibrium 92

3.3 Chemical and Phase Equilibria 94

3.4 Euler and Gibbs-Duhem Relations 103

3.5 Transformed Potential Functions 106

3.6 Other Sorts of Thermodynamic Work 112

Homework Problems 114

4 Thermodynamic Calculation Strategies and Applications 119

4.1 Reduction of Thermodynamic Derivatives 119

4.2 Chemical Reaction Thermodynamics 128

4.3 Self-Assembly Thermodynamics 132

4.4 Spontaneous Consequences 137

Homework Problems 147

5 Nonideal Systems and Computer Simulations 151

5.1 Quantifying Nonidealities 151

5.2 Simple Models of Molecular Fluids 154

5.3 Supermolecule Statistical Mechanics 168

5.4 Mixed Points of View on Entropy 173

5.5 Kirkwood, Widom, and Jarzynski 179

Homework Problems 190

6 Introduction to Quantum Mechanics 195

6.1 The Dawn of Quantum Phenomena 195

6.2 The Rise of Wave Mechanics 196

6.3 Wave Equations and Eigenfunctions 198

6.4 Quantum Operators and Observables 203

6.5 Formal Postulates of Quantum Mechanics 221

Homework Problems 224

7 Simple Systems and Chemical Applications 227

7.1 Free, Confined, and Obstructed Particles 227

7.2 Quantum Harmonic Oscillators 240

7.3 Raising and Lowering Operators 246

7.4 Eigenvectors, Brackets, and Matrices 248

7.5 Three-Dimensional Systems 251

Homework Problems 260

8 Atoms and Spinning Particle-Waves 265

8.1 The Hydrogen Atom 265

8.2 Spin Angular Momentum 272

8.3 Fermi, Bose, and Pauli Exclusion 278

8.4 Multielectron Atoms and the Periodic Table 282

Homework Problems 289

9 Covalent Bonding and Optical Spectroscopy 293

9.1 Covalent Bond Formation 293

9.2 Molecular Bonding Made Easy 304

9.3 Time-Dependent Processes 311

9.4 Optical Spectroscopy 315

9.5 Introduction to Ab Initio Methods 328

Homework Problems 335

10 Chemical and Photon-Molecule Reactions 341

10.1 Gas Phase Reaction Equilibria 341

10.2 Principles of Reaction Dynamics 352

10.3 Prediction of Reaction Rate Constants 355

10.4 Photon-Molecule Reactions 364

Homework Problems 372

APPENDICES 377

A: Answers to Problems That Test Your Understanding 379

B: Fundamental Constants and Mathematical Identities 385

C: Periodic Table 389

Index 391