Use this URL to cite or link to this record in EThOS:
Title: Simulations and coarse-graining of polymers in solution
Author: Addison, C. I.
Awarding Body: University of Cambridge
Current Institution: University of Cambridge
Date of Award: 2006
Availability of Full Text:
Full text unavailable from EThOS.
Please contact the current institution’s library for further details.
In this work simulations of polymers will be presented, as well as a coarse-graining strategy in which some of the detail involved in microscopic models is removed to speed up the simulations, allowing larger systems to be studied. In the introductory chapter some of the properties and models of polymer will be presented, along with the simulation method used in this work. In the next chapter, properties of polymers such as the equation of state (E.O.S.) and adsorption are calculated in solvents of different quality. In section three, a new and computationally rapid method for the calculation of the E.O.S. is presented. After this the focus moves away from homogeneous solutions of polymers, and towards AB polymer mixtures, and a study of the onset of phase separation. The polymers are also coarse-grained, treating them as “soft” particles, with the aim of retaining the essential properties but speeding up the simulations. The final chapter concerns diblock copolymers, a polymer made up of two tethered strands, each with different properties. Diblock copolymers are known to have rich phase behaviour, and models will be presented with the aim of capturing the behaviour. A method of coarse-graining diblock copolymers will be presented, allowing much larger calculations which can allow the study of phase properties in more detail. In the appendix there is a short note on some experimental work on the scaling properties of spaghetti, parallels can be drawn with the simulations on polymers.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available