The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.

Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering

Piovano A.;D'Amore M.;Civalleri B.;Bordiga S.;Groppo E.;
2020-01-01

Abstract

The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.
2020
385
76
86
Nanocrystal; Pair distribution function; Structural disorder; Synchrotron; Total scattering; XRD; Ziegler-Natta catalysts
Wada T.; Takasao G.; Piovano A.; D'Amore M.; Thakur A.; Chammingkwan P.; Bruzzese P.C.; Terano M.; Civalleri B.; Bordiga S.; Groppo E.; Taniike T.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/1742973
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