Introduction to molecular-microsimulation of colloidal dispersions

A. Satoh (Eds.)0444514244, 9780444514240

This title provides an introduction to molecular-microsimulation methods for colloidal dispersions and is suitable for both self-study and reference. It provides the reader with a systematic understanding of the theoretical background to simulation methods, together with a wide range of practical skills for developing computational programs. Exercises are included at the end of each chapter to further assist the understanding of the subjects addressed.

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Table of contents :
Content:
Preface
Pages vii-ix
A. Satoh

Chapter 1 What kinds of molecular-microsimulation methods are useful for colloidal dispersions? Original Research Article
Pages 1-6

Chapter 2 Statistical ensembles Original Research Article
Pages 7-18

Chapter 3 Monte carlo methods Original Research Article
Pages 19-63

Chapter 4 Governing equations of the flow field Original Research Article
Pages 64-75

Chapter 5 Theory for the motion of a single particle and two particles in fluid Original Research Article
Pages 76-101

Chapter 6 The approximation of mult-body hydrodynamic interactions among particles in a dense colloidal dispersion Original Research Article
Pages 102-108

Chapter 7 Molecular dynamics methods for a dilute colloidal dispersion Original Research Article
Pages 109-114

Chapter 8 Stokesian dynamics methods Original Research Article
Pages 115-126

Chapter 9 Brownian dynamics methods Original Research Article
Pages 127-152

Chapter 10 Typical properties of colloidal dispersions calculable by molecular-microsimulations Original Research Article
Pages 153-159

Chapter 11 The methodology of simulations Original Research Article
Pages 160-183

Chapter 12 Some examples of microsimulations Original Research Article
Pages 184-200

Chapter 13 Higher order approximations of multi-body hydrodynamic interactions Original Research Article
Pages 201-209

Chapter 14 Other microsimulation methods Original Research Article
Pages 210-238

Chapter 15 Theoretical analysis of the orientational distribution of spherocylinder particles with brownian motion Original Research Article
Pages 239-248

A1. Vectors and tensors
Pages 250-253

A2. The Dirac delta function and fourier integrals
Pages 254-257

A3. The Lennard-Jones potential
Pages 258-260

A4. Expressions of resistance and mobility functions for spherical particles
Pages 261-267

A5. Diffusion coefficients of circular cylinder particles and the resistance functions of spherocylinders
Pages 268-269

A6. Derivation of expressions for long-range interactions (the ewald sum)
Pages 270-278

A7. Unit systems used in magnetic materials
Page 279

A8. The virial equation of state
Pages 280-284

A9. Random numbers
Pages 285-292

A10. The numerical calculation of resistance and mobility functions
Pages 293-297

A11. Several Fortran subroutines for simulations
Pages 298-336

List of symbols
Pages 337-341

Index
Pages 342-344