THE ELEMENTS OF PHYSICAL CHEMISTRY

By DAVID PEREZ

CONTENTS PART THERMODYNAMICS AND THE MACROSCOPIC DESCRIPTION OF PHYSICAL SYSTEMS CHAPTER THE BEHAVIOR OF GASES AND LIQUIDS INTRODUCTION SYSTEMS AND STATES IN PHYSICAL CHEMISTRY REAL GASES THE COEXISTENCE OF PHASES AND THE CRITICAL POINT WORK, HEAT, AND ENERGY: THE FIRST LAW OF THERMODYNAMICS WORK AND THE STATE OF A SYSTEM HEAT INTERNAL ENERGY: THE FIRST LAW OF THERMODYNAMICS CALCULATION OFAMOUNTS OF HEAT AND ENERGY CHANGES ENTHALPY CALCULATIONOFENTHALPYCHANGESOFPROCESSESWITHOUTCHEM- ICAL REACTIONS CALCULATION OF ENTHALPY CHANGES OF A CLASS OF CHEMICAL REACTIONS CALCULATION OF ENERGY CHANGES OF CHEMICAL REACTIONS THE SECOND AND THIRD LAWS OF THERMODYNAMICS: ENTROPY THE SECOND LAW OF THERMODYNAMICS AND THE CARNOT HEAT ENGINE THE MATHEMATICAL STATEMENT OF THE SECOND LAW: ENTROPY THE CALCULATION OF ENTROPY CHANGES STATISTICAL ENTROPY THE THIRD LAW OF THERMODYNAMICS AND ABSOLUTE ENTROPIES THE THERMODYNAMICS OF REAL SYSTEMS CRITERIA FOR SPONTANEOUS PROCESSES AND FOR EQUILIBRIUM: THE GIBBS AND HELMHOLTZ ENERGIES FUNDAMENTAL RELATIONS FOR CLOSED SIMPLE SYSTEMS ADDITIONAL USEFUL THERMODYNAMIC IDENTITIES GIBBS ENERGY CALCULATIONS MULTICOMPONENT SYSTEMS EULER’S THEOREM AND THE GIBBS–DUHEM RELATION PHASE EQUILIBRIUM THE FUNDAMENTAL FACT OF PHASE EQUILIBRIUM THE GIBBS PHASE RULE PHASE EQUILIBRIA IN ONE-COMPONENT SYSTEMS THE GIBBS ENERGY AND PHASE TRANSITIONS SURFACES IN ONE-COMPONENT SYSTEMS SURFACES IN MULTICOMPONENT SYSTEMS THE THERMODYNAMICS OF SOLUTIONS IDEAL SOLUTIONS HENRY’S LAW AND DILUTE NONELECTROLYTE SOLUTIONS ACTIVITY AND ACTIVITY COEF?CIENTS THE ACTIVITIES OF NONVOLATILE SOLUTES THERMODYNAMIC FUNCTIONS OF NONIDEAL SOLUTIONS PHASE DIAGRAMS OF NONIDEAL MIXTURES COLLIGATIVE PROPERTIES CHEMICAL EQUILIBRIUM GIBBS ENERGY CHANGES AND THE EQUILIBRIUM CONSTANT REACTIONSINVOLVINGGASESANDPURESOLIDSORLIQUIDS CHEMICAL EQUILIBRIUM IN SOLUTIONS EQUILIBRIA IN SOLUTIONS OF STRONG ELECTROLYTES BUFFER SOLUTIONS THE TEMPERATURE DEPENDENCE OF CHEMICAL EQUILIBRIUM THE PRINCIPLE OF LE CHÂTELIER CHEMICAL EQUILIBRIUM AND BIOLOGICAL SYSTEMS THE THERMODYNAMICS OF ELECTROCHEMICAL SYSTEMS THE CHEMICAL POTENTIAL AND THE ELECTRIC POTENTIAL ELECTROCHEMICAL CELLS HALF-CELL POTENTIALS AND CELL POTENTIALS THE DETERMINATION OF ACTIVITIES AND ACTIVITY COEF?CIENTS OF ELECTROLYTES THERMODYNAMICINFORMATIONFROMELECTROCHEMISTRY CONTENTS CONTENTS PART DYNAMICS GAS KINETIC THEORY: THE MOLECULAR THEORY OF DILUTE GASES AT EQUILIBRIUM MACROSCOPIC AND MICROSCOPIC STATES OF MACROSCOPIC SYSTEMS A MODEL SYSTEM TO REPRESENT A DILUTE GAS THE VELOCITY PROBABILITY DISTRIBUTION THE DISTRIBUTION OF MOLECULAR SPEEDS THE PRESSURE OF A DILUTE GAS EFFUSION AND WALL COLLISIONS THE MODEL SYSTEM WITH POTENTIAL ENERGY THE HARD-SPHERE GAS THE MOLECULAR STRUCTURE OF LIQUIDS TRANSPORT PROCESSES THE MACROSCOPIC DESCRIPTION OF NONEQUILIBRIUM STATES THE GAS KINETIC THEORY OF TRANSPORT PROCESSES IN HARD- SPHERE GASES TRANSPORT PROCESSES IN LIQUIDS ELECTRICAL CONDUCTION IN ELECTROLYTE SOLUTIONS THE RATES OF CHEMICAL REACTIONS THE MACROSCOPIC DESCRIPTION OF CHEMICAL REACTION RATES FORWARD REACTIONS WITH ONE REACTANT FORWARD REACTIONS WITH MORE THAN ONE REACTANT INCLUSION OF A REVERSE REACTION CHEMICAL EQUILIBRIUM A SIMPLE REACTION MECHANISM: TWO CONSECUTIVE STEPS COMPETING REACTIONS THE EXPERIMENTAL STUDY OF FAST REACTIONS CHEMICAL REACTION MECHANISMS I: RATE LAWS AND MECHANISMS REACTION MECHANISMS AND ELEMENTARY PROCESSES IN GASES ELEMENTARY PROCESSES IN LIQUID SOLUTIONS THE TEMPERATURE DEPENDENCE OF RATE CONSTANTS REACTION MECHANISMS AND RATE LAWS CHAIN REACTIONS CHEMICAL REACTION MECHANISMS II: CATALYSIS AND MISCELLANEOUS TOPICS CATALYSIS COMPETING MECHANISMS AND THE PRINCIPLE OF DETAILED BALANCE AUTOCATALYSIS AND OSCILLATORY CHEMICAL REACTIONS THE REACTION KINETICS OF POLYMER FORMATION NONEQUILIBRIUM ELECTROCHEMISTRY EXPERIMENTAL MOLECULAR STUDY OF CHEMICAL REACTION MECHANISMS PART THE MOLECULAR NATURE OF MATTER CLASSICAL MECHANICS AND THE OLD QUANTUM THEORY CLASSICAL MECHANICS CLASSICAL WAVES THE OLD QUANTUM THEORY THE PRINCIPLES OF QUANTUM MECHANICS I DE BROGLIE WAVES AND THE SCHRÖDINGER EQUATION DE BROGLIE WAVES THE SCHRÖDINGER EQUATION THE PARTICLE IN A BOX AND THE FREE PARTICLE THE QUANTUM HARMONIC OSCILLATOR THE PRINCIPLES OF QUANTUM MECHANICS II THE POSTULATES OF QUANTUM MECHANICS THE FIRST TWO POSTULATES OF QUANTUM MECHANICS THETHIRDPOSTULATE MATHEMATICALOPERATORSANDMECHANICAL VARIABLES THE OPERATOR CORRESPONDING TO A GIVEN VARIABLE POSTULATE 4 AND EXPECTATION VALUES THE UNCERTAINTY PRINCIPLE OF HEISENBERG POSTULATE 5 MEASUREMENTS AND THE DETERMINATION OF THE STATE OF A SYSTEM THE ELECTRONIC STATES OF ATOMS I THE HYDROGEN ATOM THE HYDROGEN ATOM AND THE CENTRAL FORCE SYSTEM THE RELATIVE SCHRÖDINGER EQUATION ANGULAR MOMENTUM THE RADIAL FACTOR IN THE HYDROGEN ATOM WAVE FUNCTION THE ENERGY LEVELS OF THE HYDROGEN ATOM THE ORBITALS OF THE HYDROGEN-LIKE ATOM EXPECTATION VALUES IN THE HYDROGEN ATOM THETIME-DEPENDENTWAVEFUNCTIONSOFTHEHYDROGENATOM THE INTRINSIC ANGULAR MOMENTUM OF THE ELECTRON “SPIN” THEELECTRONICSTATESOFATOMS II THEZERO-ORDERAPPROXIMATION FOR MULTIELECTRON ATOMS THE HELIUM-LIKE ATOM THEINDISTINGUISHABILITYOFELECTRONSANDTHEPAULIEXCLUSION PRINCIPLE THE GROUND STATE OF THE HELIUMATOM IN ZERO ORDER EXCITED STATES OF THE HELIUM ATOM ANGULAR MOMENTUM IN THE HELIUM ATOM THE LITHIUM ATOM ATOMS WITH MORE THAN THREE ELECTRONS THE ELECTRONIC STATES OF ATOMS III HIGHER-ORDER APPROXIMATIONS THE VARIATION METHOD AND ITS APPLICATION TO THE HELIUM ATOM THE SELF-CONSISTENT FIELD METHOD THE PERTURBATION METHOD AND ITSAPPLICATION TO THE GROUND STATE OF THE HELIUM ATOM EXCITEDSTATESOFTHEHELIUMATOM DEGENERATEPERTURBATION THEORY THE DENSITY FUNCTIONAL METHOD ATOMS WITH MORE THAN TWO ELECTRONS THE ELECTRONIC STATES OF DIATOMIC MOLECULES THE BORN–OPPENHEIMERAPPROXIMATION AND THE HYDROGEN MOLECULE ION LCAOMOS APPROXIMATEMOLECULARORBITALSTHATARELINEAR COMBINATIONS OF ATOMIC ORBITALS HOMONUCLEAR DIATOMIC MOLECULES HETERONUCLEAR DIATOMIC MOLECULES THE ELECTRONIC STRUCTURE OF POLYATOMIC MOLECULES THE BEH2 MOLECULE AND THE SP HYBRID ORBITALS THE BH3 MOLECULE AND THE SP2 HYBRID ORBITALS THE CH4, NH3, AND H2O MOLECULES AND THE SP3 HYBRID ORBITALS MOLECULES WITH MULTIPLE BONDS THEVALENCE-BONDDESCRIPTIONOFPOLYATOMICMOLECULES DELOCALIZED BONDING THE FREE-ELECTRON MOLECULAR ORBITAL METHOD APPLICATIONS OF SYMMETRY TO MOLECULAR ORBITALS GROUPS OF SYMMETRY OPERATORS 21 10 MORE ADVANCED TREATMENTS OF MOLECULAR ELECTRONIC STRUCTURE COMPUTATIONAL CHEMISTRY TRANSLATIONAL, ROTATIONAL, AND VIBRATIONAL STATES OF ATOMS AND MOLECULES THE TRANSLATIONAL STATES OF ATOMS THE NONELECTRONIC STATES OF DIATOMIC MOLECULES NUCLEAR SPINS AND WAVE FUNCTION SYMMETRY THE ROTATION AND VIBRATION OF POLYATOMIC MOLECULES THE EQUILIBRIUM POPULATIONS OF MOLECULAR STATES OPTICAL SPECTROSCOPY AND PHOTOCHEMISTRY EMISSION/ABSORPTIONSPECTROSCOPYANDENERGYLEVELS THE SPECTRA OF ATOMS ROTATIONAL AND VIBRATIONAL SPECTRA OF DIATOMIC MOLECULES ELECTRONIC SPECTRA OF DIATOMIC MOLECULES SPECTRA OF POLYATOMIC MOLECULES FLUORESCENCE,PHOSPHORESCENCE,ANDPHOTOCHEMISTRY RAMAN SPECTROSCOPY OTHER TYPES OF SPECTROSCOPY MAGNETIC RESONANCE SPECTROSCOPY MAGNETIC FIELDS AND MAGNETIC DIPOLES ELECTRONIC AND NUCLEAR MAGNETIC DIPOLES ELECTRON SPIN RESONANCE SPECTROSCOPY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY FOURIER TRANSFORM NMR SPECTROSCOPY THE RECONCILIATION OF THE MACROSCOPIC AND MOLECULAR THEORIES OF MATTER EQUILIBRIUM STATISTICAL MECHANICS I THE PROBABILITY DISTRIBUTION FOR MOLECULAR STATES THE QUANTUM STATISTICAL MECHANICS OF A SIMPLE MODEL SYSTEM THE PROBABILITY DISTRIBUTION FOR A DILUTE GAS THE PROBABILITY DISTRIBUTION AND THE MOLECULAR PARTITION FUNCTION THE CALCULATION OF MOLECULAR PARTITION FUNCTIONS EQUILIBRIUM STATISTICAL MECHANICS II STATISTICAL THERMODYNAMICS THE STATISTICAL THERMODYNAMICS OF A DILUTE GAS WORKING EQUATIONS FOR THE THERMODYNAMIC FUNCTIONS OF A DILUTE GAS CHEMICAL EQUILIBRIUM IN DILUTE GASES THE ACTIVATED COMPLEX THEORY OF BIMOLECULAR CHEMICAL REACTION RATES IN DILUTE GASES MISCELLANEOUS TOPICS IN STATISTICAL THERMODYNAMICS EQUILIBRIUM STATISTICAL MECHANICS III ENSEMBLES THE CANONICAL ENSEMBLE THERMODYNAMIC FUNCTIONS IN THE CANONICAL ENSEMBLE THE DILUTE GAS IN THE CANONICAL ENSEMBLE CLASSICAL STATISTICAL MECHANICS THERMODYNAMIC FUNCTIONS IN THE CLASSICAL CANONICAL ENSEMBLE THE CLASSICAL STATISTICAL MECHANICS OF DENSE GASES AND LIQUIDS THE STRUCTURE OF SOLIDS, LIQUIDS, AND POLYMERS THE STRUCTURE OF SOLIDS CRYSTAL VIBRATIONS THE ELECTRONIC STRUCTURE OF CRYSTALLINE SOLIDS ELECTRICAL RESISTANCE IN SOLIDS THE STRUCTURE OF LIQUIDS APPROXIMATE THEORIES OF TRANSPORT PROCESSES IN LIQUIDS POLYMER CONFORMATION POLYMERS IN SOLUTION RUBBER ELASTICITY 28 10 NANOMATERIALS