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Automated parametric Rietveld refinement: Applications in reaction kinetics and in the extraction of microstructural information

Published online by Cambridge University Press:  06 March 2012

P. Rajiv ,
R. E. Dinnebier ,
M. Jansen  and
M. Joswig
P. Rajiv
Affiliation:
Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569, Stuttgart, Germany
R. E. Dinnebier*
Affiliation:
Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569, Stuttgart, Germany
M. Jansen
Affiliation:
Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569, Stuttgart, Germany
M. Joswig
Affiliation:
Institute for Geophysics, Stuttgart University, Azenbergstraße 16, 70174, Stuttgart, Germany
*
a)Electronic mail: [email protected]
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Abstract

Two applications of parametric Rietveld refinement employing a newly developed robust computer program are presented. The first application focuses on the parametric kinetic analysis of the reactions involving phase transitions of various polymorphic forms of copper phthalocyanine pigments. The second application concerns the parameterization of crystallite size with respect to experimental temperature. XRPD data for nanocrystalline titanium dioxide measured in dependence on temperature are used in this case study. Both the applications were realized with the help of the developed program in combination with the launch mode of topas® software.

Keywords

parametric Rietveld refinementsequential Rietveld refinementcrystallite sizereaction kineticscopper phthalocyaninetitanium dioxidetopas
Type
Powder Diffraction Software
Information
Powder Diffraction , Volume 26 , Supplement S1 , December 2011 , pp. S26 - S37
Copyright
Copyright © Cambridge University Press 2011

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