Description
Taylor & Francis Ltd Essentials Of Physical Chemistry 2011 Edition by Don Shillady
At a time when U.S. high school students are producing low scores in mathematics and science on international examinations, a thorough grounding in physical chemistry should not be considered optional for science undergraduates. Based on the author's thirty years of teaching, Essentials of Physical Chemistry merges coverage of calculus with chemistry and molecular physics in a friendly yet thorough manner. Reflecting the latest ACS guidelines, the book can be used as a one or two semester course, and includes special topics suitable for senior projects.The book begins with a math and physics review to ensure all students start on the same level, and then discusses the basics of thermodynamics and kinetics with mathematics tuned to a level that stretches students' abilities. It then provides material for an optional second semester course that shows students how to apply their enhanced mathematical skills in a brief historical development of the quantum mechanics of molecules. Emphasizing spectroscopy, the text is built on a foundation of quantum chemistry and more mathematical detail and examples. It contains sample classroom-tested exams to gauge how well students know how to use relevant formulas and to display successful understanding of key concepts. Coupling the development of mathematical skills with chemistry concepts encourages students to learn mathematical derivationsMini-biographies of famous scientists make the presentation more interesting from a "people" point of viewStating the basic concepts of quantum chemistry in terms of analogies provides a pedagogically useful technique Covering key topics such as the critical point of a van der Waals gas, the Michaelis-Menten equation, and the entropy of mixing, this classroom-tested text highlights applications across the range of chemistry, forensic science, pre-medical science and chemical engineering. In a presentation of fundamental topics held together by clearly established mathematical models, the book supplies a quantitative discussion of the merged science of physical chemistry. Foreword Author List of Constants Introduction: Mathematics and Physics ReviewIdeal and Real Gas BehaviorIntroduction to the ''First Encounter with Physical Chemistry'' Phenomenological Derivation of the Ideal Gas EquationCharles' (Jacques-Alexandre-Cesar Charles) Law Useful UnitsMolecular Weight from Gas Density (the Dumas Bulb Method) Dalton's Law of Partial Pressures Nonideal Gas Behavior Supercritical Fluid Chromatography SummaryProblemsReferences Viscosity of Laminar FlowIntroduction Measurement of ViscosityViscosity of BloodStaudinger's Rule for Polymer Molecular WeightSummaryProblemsBibliography References The Kinetic Molecular Theory of GasesIntroduction Kinetic Molecular Theory of Gases Weighted Averaging: A Very Important Concept SummaryProblemsReferences The First Law of ThermodynamicsIntroduction Historical Development of Thermodynamics Definitions First Law of Thermodynamics Isothermal Processes Enthalpy and Heat Capacities Adiabatic Processes Adiabatic Nozzle Expansion SpectroscopyDiesel Engine Compression Calorimetry and ThermochemistryHess's Law of Heat SummationStandard Heats of Formation at 298.15 Degrees K and 1.000 Bar Pressure Temperature Dependence of Reaction Enthalpies Polynomial Curve Fitting Application to H0rxn (T > 289.15 Degrees K)Other Types of Thermochemistry PerspectiveKey Formulas and Equations ProblemsTesting, Grading, and Learning?References The Second and Third Laws of ThermodynamicsIntroduction Carnot Cycle/EngineEfficiency of Real Heat Engines Entropy and Spontaneity Summary of the Second Law of Thermodynamics Eight Basic Equations of ThermodynamicsThird Law of Thermodynamics Simple Statistical Treatment of Liquids and Gases SummaryTesting, Grading, and Learning?ProblemsBibliography References Gibbs' Free Energy and EquilibriaIntroduction Temperature Dependence of Equilibrium Constants van't Hoff EquationVapor Pressure of LiquidsPhase EquilibriaHow Ice Skates Work Gibbs Phase Rule Iodine Triple Point (CP-CV) for Liquids and Solids Open Systems: Gibbs-Duhem Equation for Partial Molal Volumes Chemical Potential for Open SystemsModeling Liquids SummaryProblemsTesting, Grading, and Learning?Bibliography References Basic Chemical Kinetics Introduction First-Order Reactions Promethium: An Introduction to Nuclear ChemistryMadame Curie and RadioactivityRadium Second-Order Rate Processes: [A] = [B] Second-Order Rate Processes: [A] [B] Arrhenius Activation EnergyThe Classic A -> B -> C Consecutive First-Order Reaction Splitting the Atom ProblemsReferences More Kinetics and Some MechanismsIntroduction Beyond Arrhenius to the Eyring Transition StateExampleGraphical-Analytical Method for H and S Summary of Graphical Method Results at T = 25 DegreesCFurther Consideration of SN1 Solvolysis Chain Reactions and the Steady StateEnzyme KineticsExample: A Hypothetical EnzymeKinetics Conclusions ProblemsTesting, Grading, and Learning?Bibliography References Basic SpectroscopyIntroduction Planck's Discovery Balmer's Integer FormulaA Very Useful FormulaPreliminary Summary of the Bohr AtomSignificance of the Bohr Quantum Number n Orbital ScreeningX-Ray Emission Forensic/Analytical Use of Auger X-Rays X-Ray Fluorescence X-Ray DiffractionElectronic Absorption Spectroscopy/Spectrophotometry Interpreting Electronic SpectraGeneral Principles of Spectroscopy ProblemsBibliography References Early Experiments in Quantum PhysicsIntroduction Stefan-Boltzmann Law: Relating Heat and Light-Part I Blackbody Radiation: Relating Heat and Light-Part II Photoelectric Effect De Broglie Matter WavesDavisson-Germer Experiment SummaryProblemsReferences The Schroedinger Wave Equation Introduction Definition of a Commutator Postulates of Quantum Mechanics Particle on a RingComparison of PIB and POR Applications Additional Theorems in Quantum Mechanics SummaryProblemsStudy, Test, and Learn?References The Quantized Harmonic Oscillator, Vibrational SpectroscopyIntroduction Harmonic Oscillator Details Harmonic Oscillator ResultsReduced Mass Isotope Shift in the Vibrational Fundamental Frequency Hermite Recursion Rule Infrared Dipole Selection Rule3N - 6 or 3N - 5 Vibrations? Raman Spectroscopy SummaryProblemsReferences The Quantized Rigid Rotor and the Vib-RotorIntroduction Three-Dimensional Particle-in-a-BoxRigid Rotor Angular Wave FunctionsAngular Momentum Rotational Spectrum of COFourier Transform Spectrometry FT-IR Imaging and MicroscopyDipole Requirement Vib-Rotor Infrared Spectroscopy Bond Length of H-3517Cl SummaryProblemsReferences The Schroedinger Hydrogen AtomIntroduction Strategy to Solve the ProblemAssociated Laguerre Polynomials Interpretation Pictures of Angular OrbitalsPowell Equivalent d-Orbitals Unsoeld's Theorem Aufbau Principle and the Scaled H atomTerm Symbols and Spin Angular MomentumHund's Rule|L, Sz) versus |J, Jz) CouplingSummaryProblemsReferences Quantum Thermodynamics Introduction (Energy) Partition FunctionAverage Translation Energy in One Dimension Average Rotational Energy of a Diatomic MoleculeAverage Vibrational EnergyHigh-Temperature Limit for Vibrational Heat CapacityHeat Capacity of a Polyatomic Species: Water Combining Partition Functions Statistical Formulas for Other Thermodynamic Functions Statistical Formula for S(T) Sakur-Tetrode Formula for Absolute Entropy of a GasSummaryProblemsReferences Approximate Methods and Linear AlgebraIntroduction Simple First-Order Perturbation Theory Principles of Perturbation Theory Variation Method Molecular Orbitals and the Secular Equation Chemical Bonds of EthyleneElementary Linear Algebra Unitary Similarity Diagonalization of a Square Hermitian MatrixJacobi Algorithm for Diagonalization Using a Computer Order Matters! SummaryProblemsTesting, Grading, and Learning! Study, Test, and Learn? References Electronic Structure of MoleculesIntroduction Hartree-Fock-Roothan LCAO CalculationsChemical Effects in Orbital ScreeningMany-Electron Wave FunctionsAtomic Units Roothaan's LCAO Hartree-Fock EquationPractical Implementation and Examples Dipole Moment of BH Excited States of BHMesoionic Bond Orders SummaryProblemsReferences Point Group Theory and Electrospray Mass Spectrometry Introduction Basic Point Group TheoryCalculation of Molecular VibrationsFuture Development of Electrospray Mass Spectrometry? ''Making Elephants Fly'' SummaryProblemsReferences Essentials of Nuclear Magnetic Resonance Introduction Early NMR Spectrometers NMR Spin Hamiltonian Forensic Application of 1D-NMR Nuclear Magnetic Resonance: Pulse Analysis Rotating Coordinate SystemDetection of Magnetic Fields Bloch Equations Complex Fourier Transform2D-NMR COSYCoherent SpectroscopyProduct Operator COSY Analysis Using Dr. Brown's Automated Software Anatomy of a 2D Experiment SummaryProblemsReferences Appendix A: Relation between Legendre and Associated Legendre Polynomials Appendix B: The Hartree-Fock-Roothaan SCF EquationAppendix C: Gaussian Lobe Basis Integrals Appendix D: Spin-Orbit Coupling in the H AtomIndexUse of PCLOBE