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Extracting quantitative structural parameters for disordered polymers from neutron scattering data

Rosi-Schwartz, B. and Mitchell, G.R. (1995) Extracting quantitative structural parameters for disordered polymers from neutron scattering data. Nuclear Instruments & Methods in Physics Research: Section A, 354 (1). pp. 17-29. ISSN 0168-9002

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To link to this item DOI: 10.1016/0168-9002(94)01033-1


The organization of non-crystalline polymeric materials at a local level, namely on a spatial scale between a few and 100 a, is still unclear in many respects. The determination of the local structure in terms of the configuration and conformation of the polymer chain and of the packing characteristics of the chain in the bulk material represents a challenging problem. Data from wide-angle diffraction experiments are very difficult to interpret due to the very large amount of information that they carry, that is the large number of correlations present in the diffraction patterns.We describe new approaches that permit a detailed analysis of the complex neutron diffraction patterns characterizing polymer melts and glasses. The coupling of different computer modelling strategies with neutron scattering data over a wide Q range allows the extraction of detailed quantitative information on the structural arrangements of the materials of interest. Proceeding from modelling routes as diverse as force field calculations, single-chain modelling and reverse Monte Carlo, we show the successes and pitfalls of each approach in describing model systems, which illustrate the need to attack the data analysis problem simultaneously from several fronts.

Item Type:Article
Divisions:Interdisciplinary centres and themes > Chemical Analysis Facility (CAF) > Electron Microscopy Laboratory (CAF)
ID Code:26905

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