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Title: The molecular dynamics and rheology of polymer melts near the flat surface
Author: Kirk, Jack
ISNI:       0000 0004 7966 6728
Awarding Body: University of Reading
Current Institution: University of Reading
Date of Award: 2018
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This thesis is concerned with the molecular dynamics and rheology of polymer melts in the vicinity of a hard flat surface. One initial motivation is the desire to better understand the phenomenon of slip between flowing molten polymer and a bounding solid wall. Alternation between sticking and slipping boundary conditions is suspected to be the cause of 'spurt flow', widely observed in polymer extrusion. A related aim is to investigate the nature of chain entanglements at surfaces, which also has important consequences for the material properties of nano-composites and thin films. In addition more general effects of confinement are considered. The primary method of investigation is observation, using Molecular Dynamics (MD) computer simulations of relevant systems. Single-chain models are fitted to the 'fundamental' multi-chain MD simulations, and the simplifying assumptions of this coarse-graining are then examined.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral