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Theoretical and experimental developments for accurate determination of crystallinity of cellulose I materials

Theoretical and experimental developments for accurate determination of crystallinity of... This work defines the crystallinity of cellulose I materials on a dry-weight basis. Theoretical and experimental developments in X-ray diffraction lead to a crystallinity determination method that is estimated to reach 1 accuracies of better than 0.05 (crystallinity defined between 0 and 1). The method is based on Rietveld modelling, to resolve cellulose I Bragg peaks, and a standard truncated invariant integral. Corrections are derived to account for incoherent scattering, moisture content and other compositional deviations from pure cellulose. The experimental development uses X-ray diffraction in transmission fibre geometry with two-dimensional pattern Rietveld modelling, including a crystal-orientation distribution function. The crystallinities of a few commercial cellulose I materials were determined with the aim of illustrating the applicability of the method. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Applied Crystallography International Union of Crystallography

Theoretical and experimental developments for accurate determination of crystallinity of cellulose I materials

Journal of Applied Crystallography , Volume 44 (1): 184 – Dec 14, 2010

Theoretical and experimental developments for accurate determination of crystallinity of cellulose I materials

Journal of Applied Crystallography , Volume 44 (1): 184 – Dec 14, 2010

Abstract

This work defines the crystallinity of cellulose I materials on a dry-weight basis. Theoretical and experimental developments in X-ray diffraction lead to a crystallinity determination method that is estimated to reach 1 accuracies of better than 0.05 (crystallinity defined between 0 and 1). The method is based on Rietveld modelling, to resolve cellulose I Bragg peaks, and a standard truncated invariant integral. Corrections are derived to account for incoherent scattering, moisture content and other compositional deviations from pure cellulose. The experimental development uses X-ray diffraction in transmission fibre geometry with two-dimensional pattern Rietveld modelling, including a crystal-orientation distribution function. The crystallinities of a few commercial cellulose I materials were determined with the aim of illustrating the applicability of the method.

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References (24)

Publisher
International Union of Crystallography
Copyright
Copyright (c) 2011 International Union of Crystallography
Subject
crystallinity, cellulose, transmission fibre geometry, quantitative phase analysis, Rietveld modelling
ISSN
0021-8898
eISSN
1600-5767
DOI
10.1107/S0021889810043955
Publisher site
See Article on Publisher Site

Abstract

This work defines the crystallinity of cellulose I materials on a dry-weight basis. Theoretical and experimental developments in X-ray diffraction lead to a crystallinity determination method that is estimated to reach 1 accuracies of better than 0.05 (crystallinity defined between 0 and 1). The method is based on Rietveld modelling, to resolve cellulose I Bragg peaks, and a standard truncated invariant integral. Corrections are derived to account for incoherent scattering, moisture content and other compositional deviations from pure cellulose. The experimental development uses X-ray diffraction in transmission fibre geometry with two-dimensional pattern Rietveld modelling, including a crystal-orientation distribution function. The crystallinities of a few commercial cellulose I materials were determined with the aim of illustrating the applicability of the method.

Journal

Journal of Applied CrystallographyInternational Union of Crystallography

Published: Dec 14, 2010

Keywords: crystallinity ; cellulose ; transmission fibre geometry ; quantitative phase analysis ; Rietveld modelling .

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