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

Rajiv, P.; Dinnebier, R. E.; Jansen, M.; Joswig, M.

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

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Dinnebier, R. E.
Scientific Facility X-Ray Diffraction (Robert E. Dinnebier), Max Planck Institute for Solid State Research, Max Planck Society;

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Jansen, M.
Abteilung Jansen, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Rajiv, P., Dinnebier, R. E., Jansen, M., & Joswig, M. (2011). Automated parametric Rietveld refinement: Applications in reaction kinetics and in the extraction of microstructural information. Powder Diffraction, 26(Suppl. 1), S26-S37.

Cite as: https://hdl.handle.net/21.11116/0000-000E-C0CF-0

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 (R) software. (C) 2011 International Centre for Diffraction Data. [DOI: 10.1154/1.3662220]