Concise physical chemistry/
Donald W. Rogers.
- Hoboken, N.J. : Wiley, c2011.
- xxiv, 378 p. : ill. ; 24 cm.
Includes bibliographical references and index.
1. Ideal gas laws -- Empirical gas laws -- The mole -- Equations of state -- Dalton's Law -- Partial pressures -- Extensive and intensive variables -- Graham's Law of Effusion -- Molecular weight determination -- The Maxwell-Boltzmann Distribution -- Boltzmann's constant -- The Gaussian probability density distribution -- Probability density of molecular velocities in a spherical velocity space -- 2. The 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 -- Boyle's Law plot for an ideal gas -- 3. The thermodynamics of simple systems -- Conservation laws and exact differentials -- The reciprocity relationship -- 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-Thompson experiments -- The heat capacity of an ideal gas -- Adiabatic work -- 4. Thermochemistry -- Calorimetry -- energies and enthalpies of formation -- Standard states -- Molecular enthalpies of formation -- Enthalpies of reaction -- Group additivity -- The Schrödinger Equation -- Differential scanning calorimetry -- 5. Entropy and the second law -- Heat death and time's arrow -- The reaction coordinate -- Disorder -- Entropy changes -- Heating -- Expansion -- Heating and expansion -- Spontaneous processes -- Mixing -- Heat transfer -- Chemical reactions -- The Third Law -- 6. 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 -- 7. Equilibrium -- The Equilibrium Constant -- Fugacity and activity -- Variation of the equilibrium constant with temperature -- The van't Hoff Equation -- LeChatelier's Principle -- Computational thermochemistry -- Chemical potential : nonideal systems -- Free energy and equilibria in biochemical systems -- Making ATP, the cell's power supply -- 8. A statistical approach to thermodynamics -- Degeneracy and equilibrium -- Gibbs free energy and the partition function -- Entropy and probability -- The thermodynamic functions -- Partition function -- The equilibrium constant : a statistical approach -- Computational statistical thermodynamics -- 9. The phase rule -- Components, phases, and degrees of freedom -- The Clausius-Clapeyron Equation -- Partial molar volume -- The Gibbs Phase Rule -- Compound phase diagrams -- Ternary phase diagrams -- 10. Chemical kinetics -- First-order kinetic rate laws -- First-order radioactive decay -- Logarithmic decay of a radioactive element -- Second-order reactions -- The Laplace transform -- Sequential reactions -- Reversible reactions -- Experimental determination the rate equation -- Reaction mechanisms -- The influence of temperature on rate -- Collision theory -- Computational kinetics. 11. Liquids and solids -- Surface tension -- Heat capacity of liquids and solids -- Viscosity of liquids -- Crystals -- Bravais lattices -- The Bravais Crystal Systems and Lattices -- Covalent bond radii -- Computational geometries -- Lattice energies -- 12. Solution chemistry -- The ideal solution -- Raoult's Law -- Concentration units -- Real solutions -- Henry's Law -- vapor pressure -- Boiling point elevation -- Osmotic pressure -- Colligative properties -- 13. Coulometry and conductivity -- Electrical potential -- Membrane potentials -- Resistivity, conductivity, and conductance -- Molar conductivity -- Kohlrausch's Law -- Partial ionization : weak electrolytes -- Ion mobilities -- Faraday's Law -- Mobility and conductance -- The Hittorf Cell -- Ion activities -- 14. Electrochemical cells -- The Daniell Cell -- Half-cells -- Cell diagrams -- Electrical work -- The Nernst Equation -- Concentration cells -- Solubility and stability products -- Mean ionic activity coefficients -- The Calomel electrode -- The Glass electrode -- 15. Early quantum theory : a summary -- The Hydrogen spectrum -- Schrödinger, Heisenber, and Born : an introduction, The Hamiltonian Operator -- Molecular quantum chemistry -- Heitler and London -- Hartree and Fock -- antisymmetry and determinantal wave functions -- The Hartree Independent Electron Method -- Atomic units -- 16. Wave mechanics of simple systems -- Wave motion -- Wave equations -- Eigenvalues and eigenvectors -- The Schrödinger Equation -- Quantum mechanical systems -- The Eigenfunction Postulate -- The Hydrogen atom -- Breaking degeneracy -- Orthogonality and overlap -- Many-electron atomic systems -- 17. The variational method : atoms -- Secular determinant -- 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 -- 18. 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 -- 19. 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 -- 20. 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 -- Methanol -- Post-Hartree-Fock calculations -- Perturbation -- Combined or scripted methods -- Density Functional Theory (DFT) -- 21. Photochemistry and the theory of chemical reactions -- Einstein's Law -- Quantum yields -- Lipid peroxidation -- Ozone depletion -- Bond Dissociation Energies (BDE) -- Lasers -- Isodesmic reactions -- The Eyring Theory of Reaction Rates -- The potential energy surface -- The steady-state pseudo-equilibrium -- entropies of activation -- The structure of the activated complex.