Theory of Simple Liquids

Theory of Simple Liquids

with Applications to Soft Matter

4th Edition - August 12, 2013

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  • Authors: Jean-Pierre Hansen, I.R. McDonald
  • Paperback ISBN: 9780123870322
  • eBook ISBN: 9780123870339

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Description

Comprehensive coverage of topics in the theory of classical liquids Widely regarded as the standard text in its field, Theory of Simple Liquids gives an advanced but self-contained account of liquid state theory within the unifying framework provided by classical statistical mechanics. The structure of this revised and updated Fourth Edition is similar to that of the previous one but there are significant shifts in emphasis and much new material has been added. Major changes and Key Features in content include: Expansion of existing sections on simulation methods, liquid-vapour coexistence, the hierarchical reference theory of criticality, and the dynamics of super-cooled liquids. New sections on binary fluid mixtures, surface tension, wetting, the asymptotic decay of pair correlations, fluids in porous media, the thermodynamics of glasses, and fluid flow at solid surfaces. An entirely new chapter on applications to 'soft matter' of a combination of liquid state theory and coarse graining strategies, with sections on polymer solutions and polymer melts, colloidal dispersions, colloid-polymer mixtures, lyotropic liquid crystals, colloidal dynamics, and on clustering and gelation.

Key Features

  • Expansion of existing sections on simulation methods, liquid-vapour coexistence, the hierarchian reference of criticality, and the dynamics of super-cooled liquids.
  • New sections on binary fluid mixtures, surface tension, wetting, the asymptotic decay of pair correlations, fluids in porous media, the thermodynamics of glasses, and fluid flow at solid surfaces.
  • An entirely new chapter on applications to 'soft matter' of a combination of liquid state theory and coarse graining strategies, with sections on polymer solutions and polymer melts, colloidal dispersions, colloid-polymer mixtures, lyotropic liquid crystals, colloidal dynamics, and on clustering and gelation.

Readership

Suitable for researchers and post-graduates in the field of condensed matter science (Physics, Chemistry, Material Science), biophysics as well as those in the oil industry.

Table of Contents

  • Preface to the Fourth Edition

    Preface to the Third Edition

    Preface to the Second Edition

    Preface to the First Edition

    Chapter 1. Introduction

    Abstract

    1.1 The Liquid State

    1.2 Intermolecular Forces and Model Potentials

    1.3 Experimental Methods

    References

    Chapter 2. Statistical Mechanics

    Abstract

    2.1 Time Evolution and Kinetic Equations

    2.2 Time Averages and Ensemble Averages

    2.3 Canonical and Isothermal–Isobaric Ensembles

    2.4 The Grand Canonical Ensemble and Chemical Potential

    2.5 Particle Densities and Distribution Functions

    2.6 Particle Densities in the Grand Canonical Ensemble

    2.7 Molecular Dynamics Simulation

    2.8 Monte Carlo Methods

    References

    Chapter 3. Static Properties of Liquids: Thermodynamics and Structure

    Abstract

    3.1 A Fluid in an External Field

    3.2 Functionals and Functional Differentiation

    3.3 Functional Derivatives of the Grand Potential

    3.4 Density Functional Theory

    3.5 Direct Correlation Functions

    3.6 The Density Response Function

    3.7 Diagrammatic Methods

    3.8 Diagrammatic Expansions of the Direct Correlation Functions

    3.9 Virial Expansion of the Equation of State

    3.10 Binary Systems

    References

    Chapter 4. Distribution Function Theories

    Abstract

    4.1 The Static Structure Factor

    4.2 The YBG Hierarchy and the Born–Green Equation

    4.3 Functional Expansions and Integral Equations

    4.4 The Percus–Yevick Equation

    4.5 The Mean Spherical Approximation

    4.6 Diagrammatic Expansions of the Pair Functions

    4.7 Extensions of Integral Equations

    4.8 Asymptotic Decay of the Pair Correlation Function

    References

    Chapter 5. Perturbation Theory

    Abstract

    5.1 Introduction: The van der Waals Model

    5.2 The image-Expansion

    5.3 Singular Perturbations: The image-Expansion

    5.4 Soft-Core Reference Systems

    5.5 An Example: The Lennard-Jones Fluid

    5.6 Treatment of Attractive Forces

    5.7 Mean Field Theory of Liquid–Vapour Coexistence

    5.8 Scaling Concepts and Hierarchical Reference Theory

    References

    Chapter 6. Inhomogeneous Fluids

    Abstract

    6.1 Liquids at Interfaces

    6.2 Approximate Free Energy Functionals

    6.3 The Liquid–Vapour Interface

    6.4 A Microscopic Expression for the Surface Tension

    6.5 Fundamental Measure Theory

    6.6 Confined Fluids

    6.7 Density Functional Theory of Wetting

    6.8 Density Functional Theory of Freezing

    6.9 Fluids Adsorbed in Porous Media

    6.10 Thermodynamics of Glasses

    References

    Chapter 7. Time-dependent Correlation and Response Functions

    Abstract

    7.1 General Properties of Time Correlation Functions

    7.2 An Illustration: The Velocity Autocorrelation Function and Self-Diffusion

    7.3 Brownian Motion and a Generalised Langevin Equation

    7.4 Correlations in Space and Time

    7.5 Inelastic Scattering of Neutrons and X-Rays

    7.6 Linear Response Theory

    7.7 Applications of the Linear Response Formalism

    References

    Chapter 8. Hydrodynamics and Transport Coefficients

    Abstract

    8.1 Thermal Fluctuations at Long Wavelengths and Low Frequencies

    8.2 Space-Dependent Self Motion

    8.3 The Navier–Stokes Equation and Hydrodynamic Collective Modes

    8.4 Transverse Current Correlations

    8.5 Longitudinal Collective Modes

    8.6 Generalised Hydrodynamics

    8.7 Long-Time Tails in Time Correlation Functions

    8.8 Dynamics of Supercooled Liquids

    8.9 Flow of Liquids at the Interface with a Solid

    References

    Chapter 9. Theories of Time Correlation Functions

    Abstract

    9.1 The Projection Operator Formalism

    9.2 Self Correlation Functions

    9.3 Transverse Collective Modes

    9.4 Density Fluctuations

    9.5 Mode Coupling Theory I. The Velocity Autocorrelation Function

    9.6 Mode Coupling Theory II. The Kinetic Glass Transition

    References

    Chapter 10. Ionic Liquids

    Abstract

    10.1 Classes and Models of Ionic Liquids

    10.2 Screening and Charge Ordering

    10.3 Integral Equation Theories

    10.4 Frequency-Dependent Electric Response

    10.5 Microscopic Dynamics in Molten Salts

    10.6 The Electric Double Layer

    10.7 Liquid Metals: Electrons and Ions

    10.8 Ionic Dynamics in Liquid Metals

    References

    Chapter 11. Molecular Liquids

    Abstract

    11.1 The Molecular Pair Distribution Function

    11.2 Expansions of the Pair Distribution Function

    11.3 Site–Site Distribution Functions

    11.4 Correlation Function Expansions for Simple Polar Fluids

    11.5 The Static Dielectric Constant

    11.6 Integral Equation Approximations for Dipolar Hard Spheres

    11.7 Interaction–Site Diagrams

    11.8 Interaction-Site Models: The RISM Equations

    11.9 Angular Correlations and the RISM Formalism

    11.10 Associating Liquids

    11.11 Reorientational Time-Correlation Functions

    References

    Chapter 12. Applications to Soft Matter

    Abstract

    12.1 Coarse Graining and Effective Interactions

    12.2 Polymer Solutions

    12.3 Polymer Melts

    12.4 Colloidal Dispersions

    12.5 Colloid–Polymer Mixtures

    12.6 Charge-Stabilised Colloids

    12.7 Colloidal Liquid Crystals

    12.8 Clustering and Gelation

    12.9 The Fokker–Planck and Smoluchowski Equations

    12.10 Dynamical Density Functional Theory

    References

    Appendix A: Fluctuations

    Appendix B: Two Theorems in Density Functional Theory

    Appendix C: Lemmas on Diagrams

    Appendix D: Solution of the PY Equation for Hard Spheres

    Appendix E: Scaled Particle Theory

    Appendix F: An Exact Integral Equation for image

    References

    Appendix G: Some Basic Properties of Polymers

    References

    Appendix H: Density Profile of a Polymer Brush

    References

    Index

Product details

  • No. of pages: 636
  • Language: English
  • Copyright: © Academic Press 2013
  • Published: August 12, 2013
  • Imprint: Academic Press
  • Paperback ISBN: 9780123870322
  • eBook ISBN: 9780123870339

About the Authors

Jean-Pierre Hansen

Affiliations and Expertise

Department of Chemistry, University of Cambridge, Cambridge, UK

I.R. McDonald

Affiliations and Expertise

Great Court, Trinity College, Cambridge, UK

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  • XiangLi Wed Feb 06 2019

    Great book

    It has everything I need to know for liquid theory.