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

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 seco...

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Published in:Powder diffraction 2011-12, Vol.26 (S1), p.S26-S37
Main Authors: Rajiv, P., Dinnebier, R. E., Jansen, M., Joswig, M.
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Language:English
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description 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.
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title Automated parametric Rietveld refinement: Applications in reaction kinetics and in the extraction of microstructural information
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