Molecular Physical Chemistry for EngineersAfter a brief introductory review of thebasic thermodynamic foundations, the book covers three core areas of physicalchemistry -- quantum chemistry, statistical mechanics, and kinetics. Offering a distinct emphasis on the behavior of matter from the molecular viewpoint, this book is designed for a one-semester undergraduate course on physical chemistry for engineers and materials scientists. After a brief introductory review of the basic thermodynamic foundations, the book covers three core areas of physical chemistry — quantum chemistry, statistical mechanics, and kinetics. A final chapter provides case histories that use molecular modeling to solve engineering problems. The book includes a broad range of exercises throughout, and an Instructor’s Manual is available for adopting professors. |
Contents
Brief Review of Some Elementary Thermodynamics The Thermodynamic Functions | 1 |
Quantum TheoryHistorical Development | 37 |
Einstein and the Debye Models | 56 |
Electron | 64 |
Problems | 75 |
The Schrödinger Equation | 79 |
Problems | 107 |
Application of Quantum Theory to the Energetics of Electrons Atoms and Molecules | 111 |
Problems | 284 |
The Kinetic Theory of Gases | 293 |
Problems | 340 |
Chemical Kinetics and the Rates of Chemical Reactions in Gases and on Surfaces | 347 |
Engineering Applications of Molecular Modeling | 429 |
Problems | 461 |
Selected Answers | 465 |
| 467 | |
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Molecular Physical Chemistry for Engineers John T. Yates Jr,J. Karl Johnson No preview available - 2007 |
Common terms and phrases
adsorption atoms average behavior blackbody Boltzmann Boltzmann distribution bond Calculate catalyst chemical reaction classical coefficient collision compute consider crystal Cv,m diatomic molecule distribution function electron emission energy levels engineering ensemble entropy Equa equilibrium constant example excited expectation value experimental factor fraction frequency gases Gibbs free energy ground state energy harmonic oscillator heat capacity hydrogen ideal gas infrared integral internal energy involving kinetic energy large number macroscopic mass Maxwell-Boltzmann distribution measured methods modeling molar mole molecular partition function momentum number of molecules occurs one-dimensional particle photon physical physisorption plot potential energy pressure probability density problem properties quantized quantum harmonic oscillator quantum mechanical quantum number radiation rate constant reactant rotational schematically Schrödinger equation shown in Figure simulations solid spectroscopy speed statistical mechanics surface temperature theory thermodynamic tion transition velocity viscosity volume wavefunction wavelength zero