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Kinetic analysis of the phase transformation from α- to β-copper phthalocyanine: A case study for sequential and parametric Rietveld refinements

Published online by Cambridge University Press:  29 February 2012

Melanie Müller ,
Robert E. Dinnebier ,
Martin Jansen ,
Stefan Wiedemann  and
Carsten Plüg
Melanie Müller
Affiliation:
Max-Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany
Robert E. Dinnebier*
Affiliation:
Max-Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany
Martin Jansen
Affiliation:
Max-Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany
Stefan Wiedemann
Affiliation:
Clariant Produkte (Deutschland) GmbH, Division PA, RPD, Industriepark Höchst, G 834, 65926 Frankfurt am Main, Germany
Carsten Plüg
Affiliation:
Clariant Produkte (Deutschland) GmbH, Division PA, RPD, Industriepark Höchst, G 834, 65926 Frankfurt am Main, Germany
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

The solid-state phase transformation from α- to β-copper phthalocyanine, using isothermal data obtained at T=250 °C and nonisothermal data obtained in the temperature range of 30 °C≤T≤330 °C with a constant heating rate of 1.67 °/min, was investigated by sequential and parametric full quantitative Rietveld analyses. Results obtained in this study show that the parametric Rietveld refinement technique is most suitable and applicable for kinetic studies of isothermal powder diffraction data. On the other hand, the sequential Rietveld refinement technique can give reliable results for the kinetic analysis of nonisothermal data. The main advantages of the parametric Rietveld refinement over the sequential Rietveld refinement are increased robustness against outliers, low weight fractions, and noisy data and an increase in computational speed.

Keywords

copper phthalocyanineparametric Rietveld refinementkineticsAvrami
Type
Technical Articles
Information
Powder Diffraction , Volume 24 , Issue 3 , September 2009 , pp. 191 - 199
Copyright
Copyright © Cambridge University Press 2009

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