Hansen / Mcdonald Theory of Simple Liquids

3. Auflage 2006
ISBN: 978-0-08-045507-5
Verlag: Elsevier Science & Techn.
Format: EPUB
Kopierschutz: 6 - ePub Watermark

E-Book, Englisch, 428 Seiten

The third edition of Theory of Simple Liquids is an updated, advanced, but self-contained introduction to the principles of liquid-state theory. It presents the modern, molecular theory of the structural, thermodynamic interfacial and dynamical properties of the liquid phase of materials constituted of atoms, small molecules or ions. This book leans on concepts and methods form classical Statistical Mechanics in which theoretical predictions are systematically compared with experimental data and results from numerical simulations.
The overall layout of the book is similar to that of the previous two editions however, there are considerable changes in emphasis and several key additions including:
•up-to-date presentation of modern theories of liquid-vapour coexistence and criticality
•areas of considerable present and future interest such as super-cooled liquids and the glass transition
•the area of liquid metals, which has grown into a mature subject area, now presented as part of the chapter ionic liquids
•Provides cutting-edge research in the principles of liquid-state theory
•Includes frequent comparisons of theoretical predictions with experimental and simulation data
•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

Autoren/Hrsg.

Hansen, Jean-Pierre

Mcdonald, I. R.

Inhaltsverzeichnis

1;front cover;1
2;copyright;5
3;front matter;6
4;Preface to the Third Edition;6
5;Preface to the Second Edition;7
6;Preface to the First Edition;9
7;Contents;10
8;Introduction;14
8.1;The liquid state;14
8.2;Intermolecular forces and model potentials;16
8.3;Experimental methods;22
8.4;Notes and References;23
9;body;24
10;Statistical Mechanics;24
10.1;Time evolution and kinetic equations;24
10.2;Time averages and ensemble averages;30
10.3;Canonical and isothermal-isobaric ensembles;33
10.4;The grand canonical ensemble;36
10.5;Particle densities and distribution functions;41
10.6;Particle densities in the grand canonical ensemble;46
10.7;Computer simulation: molecular dynamics and Monte Carlo;48
10.8;Notes and References;57
11;Static Properties of Liquids: Thermodynamics and Structure;59
11.1;A fluid in an external field;59
11.2;Functionals and functional differentiation;63
11.3;Functional derivatives of the grand potential;66
11.4;Density-functional theory;68
11.5;Direct correlation functions;70
11.6;The density response function;75
11.7;Diagrammatic methods;78
11.8;Diagrammatic expansions of the direct correlation functions;84
11.9;Virial expansion of the equation of state;87
11.10;Notes and References;90
12;Distribution-function Theories;91
12.1;The static structure factor;91
12.2;The YBG hierarchy and the Born-Green equation;96
12.3;Functional expansions and integral equations;98
12.4;The Percus-Yevick equation;103
12.5;The mean spherical approximation;108
12.6;Diagrammatic expansions of the pair functions;110
12.7;Extensions of integral equations;116
12.8;Notes and References;120
13;Perturbation Theory;122
13.1;Introduction: the van der Waals model;122
13.2;The lambda-expansion;124
13.3;Soft-core reference systems;129
13.4;An example: the Lennard-Jones fluid;134
13.5;Treatment of attractive forces;137
13.6;Mean-field theory of liquid-vapour coexistence;145
13.7;Scaling concepts and hierarchical reference theory;152
13.8;Notes and References;158
14;Inhomogeneous Fluids;160
14.1;Liquids at interfaces;160
14.2;Approximate free-energy functionals;164
14.3;The liquid-vapour interface;169
14.4;Fundamental-measure theory;172
14.5;Confined fluids;178
14.6;Density-functional theory of freezing;183
14.7;Notes and References;189
15;Time-dependent Correlation and Response Functions;191
15.1;General properties of time-correlation functions;191
15.2;The velocity autocorrelation function and self-diffusion;196
15.3;Brownian motion and the generalised Langevin equation;203
15.4;Correlations in space and time;208
15.5;Inelastic neutron scattering;214
15.6;Linear-response theory;219
15.7;Applications of the linear-response formalism;226
15.8;Notes and References;231
16;Hydrodynamics and Transport Coefficients;232
16.1;Thermal fluctuations at long wavelengths and low frequencies;232
16.2;Space-dependent self motion;234
16.3;The Navier-Stokes equation and hydrodynamic collective modes;238
16.4;Transverse-current correlations;243
16.5;Longitudinal collective modes;247
16.6;Generalised hydrodynamics;254
16.7;Long-time tails in time-correlation functions;258
16.8;Dynamics of supercooled liquids;263
16.9;Notes and References;267
17;Theories of Time-correlation Functions;268
17.1;The projection-operator formalism;268
17.2;Self correlation functions;274
17.3;Transverse collective modes;279
17.4;Density fluctuations;283
17.5;Mode-coupling theory I. the velocity autocorrelation function;290
17.6;Mode-coupling theory II. the kinetic glass transition;295
17.7;Notes and References;302
18;Ionic Liquids;304
18.1;Classes and models of ionic liquids;304
18.2;Screening and charge ordering;308
18.3;Integral-equation theories;315
18.4;Frequency-dependent electric response;320
18.5;Microscopic dynamics in molten salts;327
18.6;The electric double layer;331
18.7;Effective interactions between colloidal particles;338
18.8;Liquid metals: electrons and ions;343
18.9;Ionic dynamics in liquid metals;349
18.10;Notes and References;352
19;Molecular Liquids;354
19.1;The molecular pair distribution function;354
19.2;Expansions of the pair distribution function;356
19.3;Site-site distribution functions;359
19.4;Correlation-function expansions for simple polar fluids;366
19.5;The static dielectric constant;370
19.6;Integral-equation approximations for dipolar hard spheres;375
19.7;Interaction-site diagrams;381
19.8;Interaction-site models: the RISM equations;384
19.9;Angular correlations and the RISM formalism;388
19.10;Associating liquids;391
19.11;Reorientational time-correlation functions;397
19.12;Notes and References;403
20;back matter;406
21;Fluctuations;406
22;Two theorems in density-functional theory;408
23;Lemmas on diagrams;411
24;Solution of the PY equation for hard spheres;415
25;Scaled-particle theory;419
26;Index;422