Introductory lecture. Conformations of flexible molecules in fluid phases

Abstract

Computer simulation molecular dynamics calculations have been used to illustrate the diverse behaviour exhibited by chain molecules in condensed phases. Examples considered include the rotator phase of n-alkane crystals, self-assembled monolayers composed of long-chain molecules, surfactant micelles in aqueous solution, soap films, model membranes and a membrane-bound protein. The combination of detailed numerical studies with computer graphics has greatly aided the rationalizing of experimental data on these complex systems.