skip to main content
Language:
Search Limited to: Search Limited to: Resource type Show Results with: Show Results with: Search type Index

Idealized powder diffraction patterns for cellulose polymorphs

Cellulose (London), 2014-04, Vol.21 (2), p.885-896 [Peer Reviewed Journal]

Springer Science+Business Media Dordrecht (outside the USA) 2013 ;Cellulose is a copyright of Springer, (2013). All Rights Reserved. ;ISSN: 0969-0239 ;EISSN: 1572-882X ;DOI: 10.1007/s10570-013-0030-4

Full text available

Citations Cited by
  • Title:
    Idealized powder diffraction patterns for cellulose polymorphs
  • Author: French, Alfred D
  • Subjects: Axis axis ; Bioorganic Chemistry ; Cellulose ; Ceramics ; Chemistry ; Chemistry and Materials Science ; Composites ; Crystal structure ; Crystallinity ; Crystallography ; Crystals ; Data centers ; Diffraction patterns ; Glass ; Mathematical analysis ; mercury ; Natural Materials ; Neutron diffraction ; Organic Chemistry ; Original Paper ; Physical Chemistry ; Polymer Sciences ; Preferred orientation ; Spreadsheets ; Sustainable Development ; Unit cell ; X-radiation ; X-ray diffraction
  • Is Part Of: Cellulose (London), 2014-04, Vol.21 (2), p.885-896
  • Description: Cellulose samples are routinely analyzed by X-ray diffraction to determine their crystal type (polymorph) and crystallinity. However, the connection is seldom made between those efforts and the crystal structures of cellulose that have been proposed with synchrotron X-radiation and neutron diffraction over the past decade or so. In part, this desirable connection is thwarted by the use of different conventions for description of the unit cells of the crystal structures. In the present work, powder diffraction patterns from cellulose Iα, Iβ, II, IIII, and IIIII were calculated based on the published atomic coordinates and unit cell dimensions contained in modified “crystal information files” (.cif) that are supplied in the Supplementary Information. The calculations used peak widths at half maximum height of both 0.1 and 1.5° 2θ, providing both highly resolved indications of the contributions of each contributing reflection to the observable diffraction peaks as well as intensity profiles that more closely resemble those from practical cellulose samples. Miller indices are shown for each contributing peak that conform to the convention with c as the fiber axis, a right-handed relationship among the axes and the length of a < b. Adoption of this convention, already used for crystal structure determinations, is also urged for routine studies of polymorph and crystallinity. The calculated patterns are shown with and without preferred orientation along the fiber axis. Diffraction intensities, output by the Mercury program from the Cambridge Crystallographic Data Centre, have several uses including comparisons with experimental data. Calculated intensities from different polymorphs can be added in varying proportions using a spreadsheet program to simulate patterns such as those from partially mercerized cellulose or various composites.
  • Publisher: Dordrecht: Springer-Verlag
  • Language: English
  • Identifier: ISSN: 0969-0239
    EISSN: 1572-882X
    DOI: 10.1007/s10570-013-0030-4
  • Source: AUTh Library subscriptions: ProQuest Central
    Alma/SFX Local Collection
Back to results list
INSPIRE LIBRARY - TON DUC THANG UNIVERSITY (84-028) 37 755 057 Feedback
19 Nguyen Huu Tho St. Dist.7, HCM thuvien@tdtu.edu.vn

Copyright © 2017 INSPIRE LIBRARY - TON DUC THANG UNIVERSITY

Searching Remote Databases, Please Wait