论文标题

percus-yevick结构因素使简单

Percus-Yevick Structure Factors Made Simple

论文作者

Botet, Robert, Kwok, Sylvie, Cabane, Bernard

论文摘要

通过小角度X射线散射测量颗粒分散的结构因子S(Q),提供了一种独特的方法来研究胶体颗粒的空间排列。但是,由于SAXS信号本质上缺少某些信息,因此无法从S(Q)找到粒子的确切位置。然后,分析实验结构因子的两种标准方法是将其与根据模拟系统计算的结构因子或根据近似系统计算的分析结构因子进行比较。对于单分散硬球的液体,后一种方法通过与percus-yevick闭合方程式使用的Ornstein-cernike方程提供了分析结构因子。以这种方式获得的结构因子对于多分散颗粒的更常见分散不足。但是,Vrij,Bloom和Stell能够证明可以扩展相同的数学框架以产生实验结构因子的准确近似值。尽管如此,由于其数学复杂性,该解决方案仍然没有用。在目前的工作中,我们以简洁的形式得出并报告了通用多分散硬球系统的完整percus-yevick解决方案,这是简单的使用。该溶液的形式变得足够简单,以提供几种重要的粒子 - 拉迪乌斯分布的现成溶液(Schulz,截断的正常和逆高斯)。我们还详细讨论了幂律半径分布的情况,这与最近在高内相比率乳液中实验发现的蛋白质堆积的系统有关。

Measuring the structure factor, S(q), of a dispersion of particles by Small-Angle X-ray Scattering provides a unique method to investigate the spatial arrangement of colloidal particles. However, it is impossible to find the exact location of the particles from S(q) because some information is inherently lacking in the SAXS signal. The two standard ways to analyse an experimental structure factor are then to compare it either to structure factors computed from simulated systems, or to analytical structure factors calculated from approximated systems. For liquids of monodisperse hard spheres, the latter method provides analytical structure factors through the Ornstein-Zernike equation used with the Percus-Yevick closure equation. The structure factors obtained in this way were not adequate for the more common dispersions of polydisperse particles. However, Vrij, Bloom and Stell were able to demonstrate that the same mathematical framework could be extended to yield accurate approximations for the experimental structure factor. Still, this solution has remained underused because of its mathematical complexity. In the present work, we derive and report the complete Percus-Yevick solution for general polydisperse hard-spheres systems in a concise form that is straightforward to use. The form of the solution is made simple enough to give ready solutions of several important particle-radius distributions (Schulz, truncated normal and inverse Gaussian). We also discuss in detail the case of the power-law radius distribution, relevant in the case of systems made of an Apollonian packing of spheres, as recently discovered experimentally in high internal-phase-ratio emulsions.

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