图书详情-享·阅读

享·阅读

图书信息：

0次推荐

8次浏览

0次下载

书名：	Molecular Theory of Water and Aqueous Solutions - Part 1 : Understanding Water
作者：	Ben-Naim, Arieh
出版时间：	2009-07-17
ISBN：	9789812837608(P-ISBN) ，9789812837615(O-ISBN)
摘要：
摘要：

书目详情：

CONTENTS Preface Postcript Acknowledgments List of Abbreviations 1. Survey of the Properties of Water Personal Introduction Personal Introduction 1.1. Introduction and Some Historical Notes 1.2. Properties of Water in the Gaseous Phase 1.2.1. The single water molecule 1.2.2. Interaction between two water molecules 1.3. Properties of Water in the Solid Phase 1.3.1. Ordinary ice 1.3.2. The residual entropy of ice 1.3.3. The phase diagram of water 1.4. Properties of Water in the Liquid Phase 1.4.1. Some outstanding properties of water 1.4.2. Molar volume of water and its temperature dependence 1.4.3. Heat capacity 1.4.4. Isothermal compressibility 1.4.5. The radial distribution function of water 1.5. The Kirkwood–Buff Integral 1.5.1. Ideal gas 1.5.2. Inert gases represented as Lennard– Jones particles 1.5.3. Water, methanol, and ethanol 1.6. Solvation of Water in Water 1.7. The Importance of Water in Biological Systems 2. Theoretical Approaches to the Study of Liquid Water Personal Introduction Personal Introduction 2.1. Introduction 2.2. The General Theoretical Framework 2.3. The Mixture-Model Approach to Liquid Water 2.3.1. The origin of the mixture-model theory of water 2.3.2. Wada’s two-structure model for water: The success and the limitation of the MM approach 2.3.3. An exact MM approach to the theory of liquids 2.3.3.1. The singlet generalized molecular distribution function 2.3.3.2. Coordination number 2.3.3.3. Volume of the Voronoi polyhedron 2.3.3.4. Binding energy 2.3.3.5. Combination of properties 2.3.3.6. Some numerical examples 2.3.3.7. The mixture-model approach to liquids 2.3.4. Application of an exact two-structure model 2.4. Lattice Models for Water 2.4.1. Introduction 2.4.2. The Pauling model and its solution 2.4.3. The heat capacity and the isothermal compressibility 2.5. A One-Dimensional Model for Water 2.5.1. Introduction 2.5.2. The primitive model and the corresponding partition function 2.5.3. Selected illustrative results for the primitive model 2.5.4. The primitive cluster model for water and its partition function 2.5.5. Cluster’s size distribution 2.5.6. Selected results for the primitive cluster model 2.5.7. Some concluding remarks regarding the 1-D model for water 2.6. A Two-Dimensional Model for Water 2.6.1. Introduction 2.6.2. The physical model of water-like particles in two dimensions 2.6.3. The application of the Percus–Yevick equation to the BN2D model 2.6.4. Simulated results 2.6.5. Further development of the 2-D model 2.7. Three-Dimensional Models for Water 2.7.1. Introduction: A new era of water research 2.7.2. Effective pair potential for water 2.7.3. Second virial coefficients of water 2.7.4. Definition of the structure of water 2.7.5. An approximate method of calculating the structure of water 2.7.6. Solvation of water in pure water 2.7.7. Distribution of species of water molecules 2.7.8. Application of the Percus–Yevick equation 2.7.9. Application of cluster expansion to water 2.7.10. Simulated results 3. Water with One Simple Solute Personal Introduction Personal Introduction 3.1. Introduction and Some Historical Notes 3.2. Survey of Some Properties of Simple Aqueous Solutions 3.3. Solvation and Conditional Solvation 3.3.1. Definition of the solvation process 3.3.2. Hydrophobic and hydrophilic solutes 3.3.3. Why do we need solvation quantities?3.4. Statistical Mechanical Expressions for the Solvation Thermodynamic Quantities 3.5. Application of the Mixture-Model Approach to Water 3.5.1. Application of a two-structure model TSM)3.5.2. Generalization to any mixture model of water 3.6. Application of an Interstitial Model for Water to Aqueous Solutions 3.7. The Problem of Stabilization of the Structure of Water 3.7.1. The concept of structural temperature 3.7.2. Formulation of the problem within the mixture-model approach 3.7.3. The application of the Kirkwood–Buff theory 3.7.4. An exact argument for a hardpoint solute 3.7.5. An approximate measure of the structural change induced by the solute 3.7.6. An empirical estimate of the structural changes induced by the solute on the solvation entropy 3.8. Application of the Scaled Particle Theory 3.9. Application of a One-Dimensional Model 3.9.1. Introduction 3.9.2. Solvation of hard rods in the primitive model for water 3.9.3. Application of the primitive cluster model for dilute solutions of inert solutes 3.9.4. Results for HR solute in dilute solutions of the primitive cluster model 3.10. Applications of Two-Dimensional Models 3.11. Applications of Three-Dimensional Models 4. Water with Two Solute Molecules; Hydrophobic Hydrophilic Phenomena Personal Introduction Personal Introduction 4.1. Introduction 4.2. The Experimental Evidence 4.3. Redefinition of the H O Interaction 4.4. A Simple Measure of the Strength of the “Pure” HφO Interaction 4.4.1. Some experimental data on the strength of HφO interactions 4.4.2. HφO interaction among m identical spherical non-polar solute particles 4.4.3. Attaching a methyl group to various hydrocarbons 4.4.4. Attaching an ethyl group to various molecules 4.4.5. The hydrophobic interaction at zero separation 4.4.6. The hydrophobic interaction at contact distance between the two solutes 4.4.7. An improved approximate measure of the HφO interaction 4.5. Intramolecular HφO Interactions 4.5.1. A simple measure of the intramolecular HφO interaction 4.5.2. Mixed HφO.HφI interactions 4.6. Application of the Scaled Particle Theory 4.7. Temperature and Pressure Dependence 4.7.1. Some experimental values of the entropy, enthalpy, and volume changes associated with the HφO interaction 4.7.2. Formal statistical mechanical expressions for δG, δS, δH, and δV for the HφO process 4.7.3. Hydrophobic interaction and structural changes in the solvent 4.7.4. A measure of the amount of structural changes in the solvent 4.8. Solvent Induced Interactions Between Two Hydrophilic HφI Groups 4.8.1. The HφI interaction at R1 . 2.76A 4.8.2. The HφI interaction at R2 = 4.5A 4.8.3. Intramolecular HφI interactions 4.9. Application of One-Dimensional Models to Study Hydrophobic Interactions 4.10. Application of Two-Dimensional Models 4.11. Application of Three-Dimensional Models 4.12. Hydrophobic or Hydrophilic? That is the Question!4.12.1. A short history of the rise and fall of hydrophobia and hydrophilia 4.12.2. The decline of the hydrophilic effect 4.12.3. The rise of the HφO effect 4.12.4. The resurgence of the HφI effects Appendices Appendix A: The Tetrahedral Geometry Appendix B: Calculation of the Residual Entropy of Water Appendix C: The Kirkwood–Buff Integrals for an Ideal Gas Appendix D: The Equivalence Between the One-Component and the Mixture-Model Views of the Same System Appendix E: The Generalized Euler Theorem Appendix F: Some Identities in the Mixture-Model Approach Appendix G: The Statistical Mechanical Expression for the Solvation Gibbs Energy of Hard Spheres and the Work of Cavity Formation Appendix H: The Solubility of a Simple Solute in Water and Structural Changes Induced in the Solvent Appendix I: An Estimate of the Strength of Hydrophilic Interaction at R = 4.5Å Appendix J: Calculated Data on HφI Interactions Appendix K: Experimental Evidence for the Entropy-Enthalpy Compensation Appendix L: Solutions to Selected Exercises References Index

评论：

南京大学志愿者

点击向他求书按钮，直接QQ联系图书馆志愿者。

李明

南京大学

计算机科学与技术

他下载过此书，你可以像他求助他下载过《这本电子书》，你可以向他求助

求书成功！

提示

您的信息不完善，将无法进行求书，点击确定完善个人信息！

footer

提示

您将删除与此条信息有关的所有信息！！！