Preface |
Acknowledgments |
List of Abbreviations |
Survey of the Properties of Water Personal Introduction / 1: |
Introduction and Some Historical Notes / 1.1: |
Properties of Water in the Gaseous Phase / 1.2: |
The single water molecule / 1.2.1: |
Interaction between two water molecules / 1.2.2: |
Properties of Water in the Solid Phase / 1.3: |
Ordinary ice / 1.3.1: |
The residual entropy of ice / 1.3.2: |
The phase diagram of water / 1.3.3: |
Properties of Water in the Liquid Phase / 1.4: |
Some outstanding properties of water / 1.4.1: |
Molar volume of water and its temperature dependence / 1.4.2: |
Heat capacity / 1.4.3: |
Isothermal compressibility / 1.4.4: |
The radial distribution function of water / 1.4.5: |
The Kirkwood-Buff Integral / 1.5: |
Ideal gas / 1.5.1: |
Inert gases represented as Lennard-Jones particles / 1.5.2: |
Water, methanol, and ethanol / 1.5.3: |
Solvation of Water in Water / 1.6: |
The Importance of Water in Biological Systems / 1.7: |
Theoretical Approaches to the Study of Liquid Water Personal Introduction / 2: |
Introduction / 2.1: |
The General Theoretical Framework / 2.2: |
The Mixture-Model Approach to Liquid Water / 2.3: |
The origin of the mixture-model theory of water / 2.3.1: |
Wada's two-structure model for water: The success and the limitation of the MM approach / 2.3.2: |
An exact MM approach to the theory of liquids / 2.3.3: |
Application of an exact two-structure model / 2.3.4: |
Lattice Models for Water / 2.4: |
The Pauling model and its solution / 2.4.1: |
The heat capacity and the isothermal compressibility / 2.4.3: |
A One-Dimensional Model for Water / 2.5: |
The primitive model and the corresponding partition function / 2.5.1: |
Selected illustrative results for the primitive model / 2.5.3: |
The primitive cluster model for water and its partition function / 2.5.4: |
Cluster's size distribution / 2.5.5: |
Selected results for the primitive cluster model / 2.5.6: |
Some concluding remarks regarding the 1-D model for water / 2.5.7: |
A Two-Dimensional Model for Water / 2.6: |
The physical model of water-like particles in two dimensions / 2.6.1: |
The application of the Percus-Yevick equation to the BN2D model / 2.6.3: |
Simulated results / 2.6.4: |
Further development of the 2-D model / 2.6.5: |
Three-Dimensional Models for Water / 2.7: |
Introduction: A new era of waterresearch / 2.7.1: |
Effective pair potential for water / 2.7.2: |
Second virial coefficients of water / 2.7.3: |
Definition of the structure of water / 2.7.4: |
An approximate method of calculating the structure of water / 2.7.5: |
Solvation of water in pure water / 2.7.6: |
Distribution of species of water molecules / 2.7.7: |
Application of the Percus-Yevick equation / 2.7.8: |
Application of cluster expansion to water / 2.7.9: |
Water with One Simple Solute Personal Introduction / 2.7.10: |
Survey of Some Properties of Simple Aqueous Solutions / 3.1: |
Solvation and Conditional Solvation / 3.3: |
Definition of the solvation process / 3.3.1: |
Hydrophobic and hydrophilic solutes / 3.3.2: |
Why do we need solvation quantities? / 3.3.3: |
Statistical Mechanical Expressions for the Solvation Thermodynamic Quantities / 3.4: |
Application of the Mixture-Model Approach to Water / 3.5: |
Application of a two-structure model (TSM) / 3.5.1: |
Generalization to any mixture model of water / 3.5.2: |
Application of an Interstitial Model for Water to Aqueous Solutions / 3.6: |
The Problem of Stabilization of the Structure of Water / 3.7: |
The concept of structural temperature / 3.7.1: |
Formulation of the problem within the mixture-model approach / 3.7.2: |
The application of the Kirkwood-Buff theory / 3.7.3: |
An exact argument for a hard-point solute / 3.7.4: |
An approximate measure of the structural change induced by the solute / 3.7.5: |
An empirical estimate of the structural changes induced by the solute on the solvation entropy / 3.7.6: |
Application of the Scaled Particle Theory / 3.8: |
Application of a One-Dimensional Model / 3.9: |
Solvation of hard rods in the primitive model for water / 3.9.1: |
Application of the primitive cluster model for dilute solutions of inert solutes / 3.9.3: |
Results for HR solute in dilute solutions of the primitive cluster model / 3.9.4: |
Applications of Two-Dimensional Models / 3.10: |
Applications of Three-Dimensional Models / 3.11: |
Water with Two Solute Molecules; Hydrophobic Hydrophilic Phenomena Personal Introduction / 4: |
The Experimental Evidence / 4.1: |
Redefinition of the HøO Interaction / 4.3: |
A Simple Measure of the Strength of the "Pure" HøO Interaction / 4.4: |
Some experimental data on the strength of HøO interactions / 4.4.1: |
HøO interaction among m identical spherical non-polar solute particles / 4.4.2: |
Attaching a methyl group to various hydrocarbons / 4.4.3: |
Attaching an ethyl group to various molecules / 4.4.4: |
The hydrophobic interaction at zero separation / 4.4.5: |
The hydrophobic interaction at contact distance between the two solutes / 4.4.6: |
An improved approximate measure of the HøO interaction / 4.4.7: |
Intramolecular HøO Interactions / 4.5: |
A simple measure of the intermolecular HøO interaction / 4.5.1: |
Mixed HøO-HøI interactions / 4.5.2: |
Temperature and Pressure Dependence / 4.6: |
Some experimental values of the entropy, enthalpy, and volume changes associated with the HøO interaction / 4.7.1: |
Formal statistical mechanical expressions for ?G, ?S, ?H, and ?V for the HøO process / 4.7.2: |
Hydrophobic interaction and structural changes in the solvent / 4.7.3: |
A measure of the amount of structural changes in the solvent / 4.7.4: |
Solvent Induced Interactions Between Two Hydrophilic Høl Groups / 4.8: |
The Høl interaction at R1 ? 2.76 Ã… / 4.8.1: |
The Høl interaction at R2 = 4.5 Ã… / 4.8.2: |
Intramolecular HHøl interaction at R2 = 4.5 Ã… / 4.8.3: |
Application of One-Dimensional Models to Study Hydrophobic Interactions / 4.9: |
Application of Two-Dimensional Models / 4.10: |
Application of Three-Dimensional Models / 4.11: |
Hydrophobic or Hydrophilic? That is the Question! / 4.12: |
A short history of the rise and fall of hydrophobia and hydrophilia / 4.12.1: |
The decline of the hydrophilic effect / 4.12.2: |
The rise of the H?O effect / 4.12.3: |
The resurgence of the H?l effects / 4.12.4: |
Appendices |
The Tetrahedral Geometry / Appendix A: |
Calculation of the Residual Entropy of Water / Appendix B: |
The Kirkwood-Buff Integrals for an Ideal Gas / Appendix C: |
The Equivalence Between the One-Component and the Mixture-Model Views of the Same System / Appendix D: |
The Generalized Euler Theorem / Appendix E: |
Some Identities in the Mixture-Model Approach / Appendix F: |
The Statistical Mechanical Expression for the Solvation Gibbs Energy of Hard Spheres and the Work of Cavity Formation / Appendix G: |
The Solubility of a Simple Solute in Water and Structural Changes Induced in the Solvent / Appendix H: |
An Estimate of the Strength of Hydrophilic Interaction at R = 4.5 Ã… / Appendix I: |
Calculated Data on H?l Interactions / Appendix j: |
Experimental Evidence for the Entropy-Enthalpy Compensation / Appendix K: |
Solutions to Selected Exercises / Appendix L: |
References |
Index |