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Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering
Journal of Catalysis ( IF 7.3 ) Pub Date : 2020-03-24 , DOI: 10.1016/j.jcat.2020.03.002
Toru Wada , Gentoku Takasao , Alessandro Piovano , Maddalena D'Amore , Ashutosh Thakur , Patchanee Chammingkwan , Paolo Cleto Bruzzese , Minoru Terano , Bartolomeo Civalleri , Silvia Bordiga , Elena Groppo , Toshiaki Taniike

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.



中文翻译:

重温δ-氯化镁的身份2:由同步辐射X射线总散射研究第I部分结构紊乱

氯化镁的活化2是用于制备高性能的齐格勒-纳塔催化剂(ZNCs)的必要步骤,但这样形成的δ-氯化镁的结构表征2一直留由于后面其复杂的疾病。在目前的研究中,同步辐射X射线总散射被应用于δ-氯化镁的结构分析2。互补使用粉末X射线衍射(PXRD)和一对分布函数(PDF)的使能确定疾病的类型和程度进行了一系列的机械和化学激活δ-的MgCl 2样品。此外,他们与分子模拟相结合成功地获得了一致的纳米颗粒模型,其中以交叉验证的方式证明了无序堆叠纳米板的常规解释是正确的。

更新日期:2020-04-09
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