New Approaches to Problems in Liquid State Theory

, by Caccamo, Carlo; Hansen, Jean Pierre; Stell, George

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ISBN: 9780792356714 | 0792356713
Cover: Paperback
Copyright: 3/1/1999

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The theory of simple and complex fluids has made considerable recent progress due to the emergence of new concepts and theoretical tools, the availability of a large body of new experimental data on increasingly complex systems, and far-reaching developments in numerical simulation. Two clear trends emerge from the present book: first, the diversity of new and unexpected theoritical results relating to classical models of liquids; and secondly, the parallel emergence of new concepts, models and methods for the investigation of complex fluids and phenomena. The book lays stress on a tutorial presentation of the main topics, including liquid structure, metastability and phase transistions, confined fluids and interfaces, complex fluids and quantum fluids.

Foreword

xiii

CHARGED AND POLAR LIQUIDS PHASE TRANSITIONS AND METASTABILITY

(150)

Understanding criticality: Simple fluids and ionic fluids

(6)

M. E. Fisher

Equation of state and critical behavior of simple fluid models

(22)

J. S. Hoye

Introduction

(3)

Van der Waals theory

(1)

γ-ordering

(3)

Critical renormalization

(3)

MSA

(1)

SCOZA

(3)

Numerical results of SCOZA

(2)

Critical properties of SCOZA

(4)

Conclusion

(3)

Phase separation and critical phenomena in simple fluids and in binary mixtures

(16)

L. Reatto

Introduction

(1)

The hierarchical reference theory of fluids

(3)

The critical region

(2)

A partial differential equation for liquids

(2)

Binary mixtures

(5)

Conclusions

(3)

Critical behaviour of the restricted primitive model (RPM)

(14)

D. Levesque

Introduction

(2)

RPM and MC simulations

(2)

Critical point and finite size scaling analysis

(4)

Results for the 3D and 2D RPM

(2)

Conclusion

(4)

Phase diagram of dipolar hard-core molecule systems

(10)

D. Levesque

Introduction

(2)

Dipolar hard spheres: phase diagram at low densities

(2)

Dipolar hard spheres: liquid and solid phases

(1)

Hard-cylinder and hard dumbbell systems

(3)

Conclusion

(2)

New results on some ionic-fluid problems

(20)

G. Stell

Introduction

(3)

Background

(6)

Implications

(3)

The spin-1 Ising model with Coulombic potential

Closing comments

(14)

Appendix (by R. Dickman): Mean-Field theory for the lattice restricted primitive model

(6)

Fluids with internal degrees of freedom

(16)

F. Lado

Introduction

(1)

Polydisperse colloidal fluids

(5)

Polarizable nonpolar fluids

(4)

Polarizable polar fluids

101

(2)

Charged particle in a polarizable fluid

103

(4)

Replica and glasses

107

(32)

G. Parisi

Introduction

107

(1)

The basic scenario

108

(6)

The Random Energy Model

114

(5)

Models with partially correlated energy

119

(6)

Static and dynamic properties

125

(3)

Systems without quenched disorder

128

(1)

Fluctuation and dissipation relations in aging dynamics

129

(10)

Nematic to smectic: A ``hard'' transition

139

(12)

Y. Martinez-Raton

J. A. Cuesta

R. van Roij

B. Mulder

Introduction

139

(1)

Generalities

140

(3)

The Zwanzig model

143

(2)

Results

145

(3)

Conclusions

148

(1)

Appendix: Fundamental measures of Zwanzig rods

149

(2)

INTERFACES AND CONFINED FLUIDS

151

(194)

Fluids in model pores or cavities: The influence of confinement on structure and phase behaviour. I. DFT for small systems: hard spheres in a spherical cavity

153

(7)

R. Evans

Introduction

153

(1)

The 1/<N> expansion

154

(1)

Choice of DFT

155

(1)

Comparison of DFT results with those of simulation

156

(4)

Remarks

160

(1)

Fluids in model pores or cavities: The influence of confinement on structure and phase behaviour. II. Freezing and condensation transitions of confined fluids

160

(13)

R. Evans

Introduction

160

(2)

The model and the simulations

162

(1)

Results of simulations

163

(4)

Discussion

167

(6)

Bulk and surface properties of dipolar fluids

173

(24)

B. Groh

S. Dietrich

Introduction

174

(3)

Model and theoretical approach

177

(4)

Inhomogeneous magnetization

181

(3)

External field

184

(1)

Solid phases

185

(3)

Nonspherical particles

188

(3)

Gas-liquid interface

191

(6)

Fluids in contact with structured substrates

197

(48)

S. Dietrich

Introduction

197

(2)

Three-phase contact line

199

(13)

Curved surfaces

212

(13)

Chemical step

225

(7)

Fluids in a wedge

232

(13)

Liquid state methods for disordered systems

245

(34)

M. L. Rosinberg

Introduction

245

(1)

Some experimental results and their interpretation

246

(4)

Modeling the solid/fluid system

250

(2)

Thermodynamics and statistical mechanics of a quenched-annealed mixture

252

(4)

Analytical studies of model systems: an overview

256

(8)

Application to magnetic systems with quenched disorder

264

(7)

Critical behavior of Q-A systems

271

(8)

Inhomogeneous fluids in an external field

279

(14)

F. Lado

E. Lomba

Introduction

279

(2)

Integral equation formulation

281

(4)

Computed results

285

(8)

Free energy density functional from 0D cavities

293

(10)

P. Tarazona

Y. Rosenfeld

Introduction

293

(1)

Exact 0D-free energy excess

294

(2)

The 1D contribution to Φ(D)(ρ)

296

(1)

The k = 2 contribution to Φ (D) (ρ)

297

(2)

Density functional for hard disks

299

(1)

Density functional for hard spheres

300

(3)

Geometrically based free energy functional for confined hard spheres and the density functional theory for simple classical systems

303

(18)

Y. Rosenfeld

Introduction

303

(1)

Densely packed hard spheres and the fundamental-measure functionals

304

(5)

Direct generalizations of the hard-sphere functional

309

(2)

The Bridge functional

311

(2)

Variational thermodynamic perturbation theory with a fundamental-measure reference functional

313

(5)

Concluding remarks

318

(3)

Charge-stabilized colloids confined to a slit: A case for attraction between like charged particles

321

(16)

D. Goulding

J. P. Hansen

Introduction

321

(1)

Slit geometry

322

(3)

Uncharged walls

325

(1)

Charged walls

326

(5)

Discussion and perspectives

331

(1)

Appendix A: Electrostatic potential around a single point polyion in an infinite slit

332

(3)

Appendix B: Calculation of the first non-linear correction to the effective pair potential

335

(2)

Wetting phase transitions and petroleum reservoirs

337

(8)

J. O. Indekeu

K. Ragil

D. Broseta

D. Bonn

J. Meunier

Introduction and motivation

337

(3)

Summary of the theoretical predications and experimental observations

340

(2)

Conclusions and prospects

342

(3)

COMPLEX FLUIDS

345

(92)

Atomistic computer simulation studies of surfactant systems

347

(12)

S. Bandyopadhyay

M. Tarek

M. L. Klein

Introduction

347

(1)

Surface properties of water and water/alcohol mixtures

348

(1)

Surfactant-water interfaces

349

(2)

Surfactants at liquid-liquid and liquid-vapor interfaces

351

(1)

Solid-liquid interfaces

351

(2)

Lipid bilayers

353

(1)

Conclusions and outlook

354

(5)

On effective interactions in colloidal physics

359

(20)

T. Biben

Introduction

359

(1)

Microscopic description

360

(4)

Structural interactions

364

(12)

Conclusion

376

(3)

Theory and simulations of polymers at surfaces

379

(14)

A. Yethiraj

Introduction

379

(2)

Density profiles of polymers at surfaces

381

(3)

Surface segregation from polymer blends

384

(4)

Polymers under shear flow

388

(3)

Summary and conclusions

391

(2)

Static structure and chain conformations in polyelectrolyte solutions

393

(14)

A. Yethiraj

Introduction

393

(2)

Theoretical methods

395

(4)

Structure of tobacco mosaic virus solutions

399

(2)

Solutions of flexible polyelectrolytes

401

(2)

Summary

403

(4)

Theories of hydrophobic effects and the description of free volume in complex liquids

407

(14)

L. R. Pratt

S. Garde

G. Hummer

Introduction

407

(1)

Free volume statistics

408

(2)

Simulation results for liquid water

410

(1)

Information model

411

(6)

Concluding comments

417

(4)

Theoretical and simulation study of model protein solutions

421

(16)

C. Caccamo

D. Costa

G. Pellicane

Introduction

421

(1)

Model, theory and simulation approach

422

(3)

Results and discussion

425

(9)

Concluding remarks

434

(3)

QUANTUM FLUIDS

437

(66)

Ab initio liquids: Simulating liquids based on first principles

439

(20)

D. Marx

Why first principle simulations?

439

(2)

Ab initio molecular dynamics

441

(9)

Ab initio path integrals

450

(4)

Where do we stand?

454

(5)

Progress in the theory of inhomogeneous 4He

459

(22)

L. Reatto

Introduction

459

(1)

Ground state of bulk 4He

460

(3)

Excited states

463

(7)

Self-bound states

470

(2)

Density fluctuations and Bose-Einstein condensate at the free surface of 4He

472

(3)

Solid-like order in doped 4He clusters

475

(2)

Conclusion

477

(4)

Tight-binding lattice-gas model: Alkali fluids

481

(10)

M. Reinaldo-Falagan

P. Tarazona

E. Chacon

J. P. Hernandez

Introduction

481

(1)

Tight-binding lattice-gas model

482

(2)

Mean-field approximation

484

(1)

Monte Carlo simulation

485

(1)

Electrical conductivity

486

(1)

Recent advances

487

(1)

Summary

488

(3)

Current-density functional theory of time-dependent linear response in quantal fluids: Recent progress

491

(12)

M. P. Tosi

M. L. Chiofalo

A. Minguzzi

R. Nifosi

Introduction

491

(1)

Weakly inhomogeneous electron fluid in the normal state

492

(2)

Dynamic density functional theory for a Bose superfluid

494

(2)

Evaluation of dynamic kernels

496

(4)

Summary and concluding remarks

500

(3)

Subject Index

503

(4)

List of participants

507

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New Approaches to Problems in Liquid State Theory

Summary

Table of Contents

Supplemental Materials

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New Approaches to Problems in Liquid State Theory

Summary

Table of Contents

Supplemental Materials

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