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含有多分散光学不均匀颗粒的致密分散体系的可测量结构因子。

Measurable structure factors of dense dispersions containing polydisperse optically inhomogeneous particles.

作者信息

Diaz Maier Joel, Gaus Katharina, Wagner Joachim

机构信息

Institut für Chemie, Universität Rostock, 18051 Rostock, Germany.

出版信息

J Appl Crystallogr. 2024 Sep 25;57(Pt 5):1503-1513. doi: 10.1107/S1600576724007957. eCollection 2024 Oct 1.

Abstract

Here, it is investigated how optical properties of single scatterers in interacting multi-particle systems influence measurable structure factors. Both particles with linear gradients of their scattering length density and core-shell structures evoke characteristic deviations between the weighted sum 〈()〉 of partial structure factors in a multi-component system and experimentally accessible measurable structure factors (). While 〈()〉 contains only the structural information of self-organizing systems, () is additionally influenced by the optical properties of their constituents, resulting in features such as changing amplitudes, additional peaks in the low-wavevector region or splitting of higher-order maxima, which are not related to structural reasons. It is shown that these effects can be systematically categorized according to the qualitative behaviour of the form factor in the Guinier region, which enables assessing the suitability of experimentally obtained structure factors to genuinely represent the microstructure of complex systems free from any particular model assumption. Hence, a careful data analysis regarding size distribution and optical properties of single scatterers is mandatory to avoid a misinterpretation of measurable structure factors.

摘要

在此,研究了相互作用的多粒子系统中单个散射体的光学性质如何影响可测量的结构因子。具有散射长度密度线性梯度的粒子和核壳结构粒子都会在多组分系统中部分结构因子的加权和〈()〉与实验可获取的可测量结构因子()之间引发特征性偏差。虽然〈()〉仅包含自组织系统的结构信息,但()还会受到其组成部分光学性质的影响,从而导致诸如振幅变化、低波矢区域出现额外峰或高阶最大值分裂等特征,这些特征与结构原因无关。结果表明,这些效应可以根据吉尼尔区域中形状因子的定性行为进行系统分类,这使得能够评估实验获得的结构因子在不依赖任何特定模型假设的情况下真正代表复杂系统微观结构的适用性。因此,必须对单个散射体的尺寸分布和光学性质进行仔细的数据分析,以避免对可测量结构因子的错误解读。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c52e/11460387/9a91da8fd22d/j-57-01503-fig1.jpg

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