Jim Prentzas
Tel: 93512252 (Room 307), jim.prentzas@aeromech.usyd.edu.au
PhD Research Title: Computer simulation of polymer crystallisation: A molecular dynamics study
Abstract:The study of crystallisation of polymers and especially the crystallisation of Polyethylene has played an important role in the development of the polymer manufacturing industry. Recently the research done on crystallisation of polymers has turned towards computers, hoping to find the answers that have not been given by experiments. In this work we study the crystallisation of polyethylene, with molecular dynamics simulations of multiple short chains of various lengths, C20, C60, C100 and C160 alkanes. With this study we are considering all the different aspects of the simulation, and in what way those affect the crystallisation process and the final structures of the system obtained. Furthermore certain calculations are carried out in order to confirm that an ordered phase in the system does appear and to get a picture of how ordered and what is the size of that ordered structure.
