Physics and Physical Chemistry of Water

Häftad, Engelska, 2012

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. The Place of Water among Liquids . . . . . . . . . . . . . . . 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21 . . . . . . . . . . Principles of Structure and Spectra: The Born-Oppenheimer Separation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 . . . . . . . . Perturbed Hartree-Fock Method . 74 .

Produktinformation

Utgivningsdatum2012-07-04
Mått152 x 229 x 34 mm
Vikt884 g
FormatHäftad
SpråkEngelska
SerieWater
Antal sidor596
Upplaga1972
FörlagSpringer-Verlag New York Inc.
ISBN9781468483369

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1 Introduction—Water, the Unique Chemical.- 1. Introduction.- 2. The Occurrence and Distribution of Water on the Earth.- 3. Water and Life.- 4. The Scientific Study of Water—A Short History.- 5. The Place of Water among Liquids.- 2 The Water Molecule.- 1. Introduction.- 2. Principles of Structure and Spectra: The Born-Oppenheimer Separation.- 3. The Electronic Motion.- 4. The Nuclear Motion.- 5. External-Field Effects.- 6. Conclusion.- Appendix A. Bibliography of Theoretical Calculations on the Electronic Structure of the Water Molecule (1925-1970).- Appendix B. Definition of the Symbols Appearing in TN.- Appendix C. Definition of the Symbols Appearing in Evib and Hrotv.- Appendix D. Definition of the Symbols Appearing in the Rotational Matrix Elements.- 3 Theory of Hydrogen Bonding in Water.- 1. Introduction.- 2. Early Theoretical Studies of the Hydrogen Bond.- 3. Potential Function for the Hydrogen Bond.- 4. Recent Theoretical Methods.- 5. Water Dimer.- 6. Water Polymers.- 7. Spectroscopic Properties, Proton Potential Functions, Charge Distribution, and Related Aspects.- 8. Conclusions.- 4 The Properties of Ice.- 1. Introduction.- 2. Phase Behavior of Ice.- 3. Structures of Crystalline Ice Phases.- 4. Thermodynamic Properties of Ice Polymorphs.- 5. Mechanical Properties.- 6. Lattice Dynamics.- 7. Molecular and Ionic Transport in Ice.- 8. Summary.- 5 Raman and Infrared Spectral Investigations of Water Structure.- 1. Introduction.- 2. New Experimental Techniques.- 3. Intermodular Vibrations of H2O and D2O.- 4. Intramolecular Vibrational Spectra from H2O in H2O and D2O.- 5. Intramolecular Vibrational Spectra from H2O and D2O.- 6. Relation of Component Properties to Water Structure.- 7. Thermodynamic Tests of the Consecutive Hydrogen-Bond Disruption Model.- 8. Currentand Future Work.- 6 Nuclear Magnetic Resonance Studies on Water and Ice.- 1. Theoretical and Experimental Foundations of Magnetic Resonance.- 2. Magnetic Shift and Spin Coupling Phenomena in Water Vapor, Water, and Ice.- 3. Measurement and Interpretation of Magnetic Relaxation Times in Water and Ice.- 4. The Contributions of NMR Methods to the Structure Problem in Liquid Water.- 7 Liquid Water: Dielectric Properties.- 1. Introduction.- 2. The Electrical Properties of the Free Water Molecule.- 3. The Measured Static Dielectric Constant.- 4. Theory of the Static Dielectric Constant.- 5. The Static Dielectric Constant Calculated on Various Models.- 6. Interpretation of Static Dielectric Constant with Induced-Dipole Contribution.- 7. Microwave and Submillimeter Dielectric Constants.- 8. Kinks?.- 9. Submillimeter Measurements.- 10. Theory of the Dielectric Constant in a Time-Varying Field.- 11. Interpretation of the Relaxation Times and Absorption Bands.- 12. Interpretation of Data in the Submillimeter Band. Conclusions.- 8 Liquid Water: Scattering of X-Rays.- 1. Introduction.- 2. Experimental Methods.- 3. Analysis of Diffraction Data.- 4. Diffraction Pattern of Liquid Water.- 5. Conclusions.- 9 The Scattering of Neutrons by Liquid Water.- 1. Introduction.- 2. The Neutron Scattering Method.- 3. Structural Measurements.- 4. Quasielastic Scattering of Neutrons by Water.- 5. Inelastic Scattering of Neutrons by Water.- 6. Discussion.- Appendix. Calculation of Orientational Correlation Factors for Molecules.- 10 Thermodynamic and Transport Properties of Fluid Water.- 1. Introduction.- 2. Thermodynamic Properties.- 3. Transport Properties.- 11 Application of Statistical Mechanics in the Study of Liquid Water.- 1. Introduction.- 2. Characteristic Features of an Effective Pair Potential for Liquid Water.- 3. Application of the Percus-Yevick Equation.- 4. Application of the Monte Carlo Technique.- 5. Some Specific Applications of the Pair Correlation Function.- 12 Liquid Water—Acoustic Properties: Absorption and Relaxation.- 1. Introduction.- 2. Ultrasonic Absorption.- 3. Ultrasonic Techniques.- 4. Experimental Results.- 5. Relaxational Compressibility.- 6. Structural Relaxation Time.- 7. Conclusions.- 13 Water at High Temperatures and Pressures.- 1. Introduction.- 2. Thermodynamic Properties.- 3. Transport Properties.- 4. Electrical Properties.- 5. Ionic Product.- 6. Spectroscopic Studies.- 7. Concluding Remarks.- 14 Structural Models.- 1. The Nature of Models.- 2. Requirements a Water Model Must Attempt to Satisfy.- 3. Some Properties of Water of Special Current Interest.- 4. Brief Survey of Models.- 5. The Present „Best Guess“.- References.