Models for Polymeric andAnisotropic Liquids

Martin Kröger (auth.)9783540262107, 3-540-26210-5

Models should be as simple as possible, but no simpler. For the physics of polymeric liquids, whose relevant lengths and time scales are out of reach for first principles calculations, this means that we have to choose a minimum set of sufficiently detailed descriptors such as architecture (linear, ring, branched), connectivity, semiflexibility, stretchability, excluded volume, and hydrodynamic interaction. These ‘universal’ fluids allow the prediction of material properties under external flow- or electrodynamic fields, the results being expressed in terms of reference units, specific for any particular chosen material. This book provides an introduction to the kinetic theory and computer simulation methods needed to handle these models and to interpret the results. Also included are a number of sample applications and computer codes.

Table of contents :
Simple Models for Polymeric and Anisotropic Liquids….Pages 1-11
Dumbbell Model for Dilute and Semi-Dilute Solutions….Pages 13-23
Chain Model for Dilute Solutions….Pages 25-32
Chain Model for Concentrated Solutions and Melts….Pages 33-48
Chain Models for Transient and Semiflexible Structures….Pages 49-76
Primitive Path Models….Pages 77-89
Elongated Particle Models….Pages 91-110
Connection between Different Levels of Description….Pages 111-142
Equilibrium Statistics: Monte Carlo Methods….Pages 143-153
Irreducible and Isotropic Cartesian Tensors….Pages 155-168
Nonequilibrium Dynamics of Anisotropic Fluids….Pages 169-179
Simple Simulation Algorithms and Sample Applications….Pages 181-196
Concluding Remarks….Pages 197-198
Notation….Pages 199-204
References….Pages 205-215