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Details of Grant 

EPSRC Reference: GR/L66649/01
Title: POLYMER NETWORK MATERIALS - COMPUTER MODELLING AND LINKED EXPERIMENTAL STUDIES
Principal Investigator: Stepto, Professor R
Other Investigators:
Ward, Professor IM
Researcher Co-Investigators:
Project Partners:
Dassault Group Molecular Reflections Inc
Department: Manchester Materials Science Centre
Organisation: UMIST
Scheme: Standard Research (Pre-FEC)
Starts: 01 May 1997 Ends: 30 April 2000 Value (£): 189,662
EPSRC Research Topic Classifications:
Materials Characterisation
EPSRC Industrial Sector Classifications:
Chemicals
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Summary on Grant Application Form
The research extends and broadens current work of the investigators in three main areas:1. simulation and modelling of the mechanical properties of networks; 2. simulation and modelling of non-linear polymerisations and crosslinking processes; 3. graphics display of network structures. Under 1, a new Monte-Carlo method will be extended to cover various modes of deformation, the effects of junction-point functionality, behaviour at large strains and stress-optical behaviour. Work in 2 will concentrate on the elastmeric behaviour of loop structures, gel-point predictions and crosslinking processes, regarding gel fraction moduli, stress-strain behaviour, entanglements and inelastic chain ends. Area 3 is concerned with the further development of 3D-representations of polymer networks which reflect actual chain connectivities, such as those modelled in area 2. Graphics display will be used to elucidate the occurrence and effects of entanglements and the detailed mechanism of chain deformation. New experimental data relating to crosslinking will generated and used to validate some of the modelling in areas 1 and 2.
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