Archivio Istituzionale della RicercaThe 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 / 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.. - In: JOURNAL OF CATALYSIS. - ISSN 0021-9517. - 385:(2020), pp. 76-86. [10.1016/j.jcat.2020.03.002]
Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering
Piovano A.;
2020
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.
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https://hdl.handle.net/11583/2994192