Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/15354
Title: Microstructure and dynamics of polymer solutions: Polyelectrolyte and dendrimer
Authors: ZHOU TONG
Keywords: polyelectrolyte, dendrimer, brownian dynamics, monte carlo, simulation, dynamics
Issue Date: 23-May-2006
Source: ZHOU TONG (2006-05-23). Microstructure and dynamics of polymer solutions: Polyelectrolyte and dendrimer. ScholarBank@NUS Repository.
Abstract: Brownian dynamics (BD) and Monte Carlo (MC) simulations are well-known computer simulation techniques which are extensively used to obtain, respectively, dynamic and structural properties of various materials. Four partly-interrelated topics are investigated in this thesis.(1) BD simulation of the diffusion and the dynamics of polyelectrolyte in dilute solutions to examine the chain diffusivities and various relaxation times. (2) BD simulation of the self-diffusion of charged tracers in dilute polyelectrolyte solutions to study the effect of chain length and charge on the short- and long-time probe diffusivities. (3) MC simulation of a dendrimer-polymer conjugate to look at the conformation of the grafted polymers, and their effect on the microstructure of dendrimer core. (4) BD simulation of a dendrimer-polymer conjugate to explore the dynamics of the conjugate and the grafted polymers, and the effect of the attachment on the dynamics of the beads at every generation of dendrimer core.
URI: http://scholarbank.nus.edu.sg/handle/10635/15354
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