Duchêne Pascal, Humbert Séverine, Sorbier Loïc, Moreaud Maxime
IFP Energies nouvelles, Rond-point de l'échangeur de Solaize, BP 3, 69360 Solaize, France.
MINES ParisTech, PSL-Research University, CMM, 35 rue Saint Honoré, 77305 Fontainebleau, France.
J Appl Crystallogr. 2023 Feb 1;56(Pt 1):237-246. doi: 10.1107/S1600576722011359.
The microstructure of heterogeneous catalysts often consists of multiscale aggregates of nanoparticles, some of which are highly anisotropic. Therefore, small-angle X-ray scattering, in classical or anomalous mode, is a valuable tool to characterize this kind of material. Yet, the classical exploitation of the scattered intensities through form and structure factors or by means of Boolean models of spheres is questionable. Here, it is proposed to interpret the scattered intensities through the use of multiscale Boolean models of spheroids. The numerical procedure to compute scattered intensities of such models is given and then validated on asymptotic diluted Boolean models, and its applicability is demonstrated for the characterization of alumina catalyst supports.
多相催化剂的微观结构通常由纳米颗粒的多尺度聚集体组成,其中一些具有高度各向异性。因此,经典或反常模式下的小角X射线散射是表征这类材料的宝贵工具。然而,通过形状和结构因子或借助球体布尔模型对散射强度进行经典分析是有问题的。在此,建议通过使用椭球体的多尺度布尔模型来解释散射强度。给出了计算此类模型散射强度的数值程序,然后在渐近稀释布尔模型上进行了验证,并证明了其在氧化铝催化剂载体表征中的适用性。