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动态光散射数据的统计分析:重新审视并超越沙策尔公式

Statistical analysis of dynamic light scattering data: revisiting and beyond the Schätzel formulas.

作者信息

Biganzoli Davide, Ferri Fabio

出版信息

Opt Express. 2018 Oct 29;26(22):29375-29392. doi: 10.1364/OE.26.029375.

Abstract

We revisited the classical Schätzel formulas (K. Schätzel, Quantum Optics2, 2871990) of the variance and covariance matrix associated to the normalized auto-correlation function in a Dynamic Light Scattering experiment when the sample is characterized by a single exponential decay function. Although thoroughly discussed by Schätzel who also outlined a correcting procedure, such formulas do not include explicitly the effects of triangular averaging that arise when the sampling time Δt is comparable or larger than the correlation time τc. If these effects are not taken into account, such formulas might be highly inaccurate. In this work we have solved this problem and worked out two exact analytical expressions that generalize the Schätzel formulas for any value of the ratio Δt/τc. By the use of extensive computer simulations we tested the correctness of the new formulas and showed that the variance formula can be exploited also in the case of fairly broad bell-shaped polydisperse samples (polydispersities up to ∼ 50 - 100%) and in connection with single exponential decay cross-correlation functions, provided that the average count rate is computed as the geometrical mean of the average count rates of the two channels. Finally, when tested on calibrated polystyrene particles, the new variance formula is able to reproduce quite accurately the error bars obtained by averaging the experimental data.

摘要

我们重新审视了经典的沙策尔公式(K. 沙策尔,《量子光学2》,287,1990),该公式用于动态光散射实验中与归一化自相关函数相关的方差和协方差矩阵,此时样本由单指数衰减函数表征。尽管沙策尔对此进行了详尽讨论并概述了一种校正程序,但此类公式并未明确包含当采样时间Δt与相关时间τc相当或更大时出现的三角平均效应。如果不考虑这些效应,此类公式可能会非常不准确。在这项工作中,我们解决了这个问题,并得出了两个精确的解析表达式,它们将沙策尔公式推广到了Δt/τc的任何值。通过广泛的计算机模拟,我们测试了新公式的正确性,并表明方差公式在相当宽的钟形多分散样本(多分散性高达约50 - 100%)以及与单指数衰减互相关函数相关的情况下也可使用,前提是平均计数率计算为两个通道平均计数率的几何平均值。最后,在校准的聚苯乙烯颗粒上进行测试时,新的方差公式能够相当准确地重现通过对实验数据求平均得到的误差条。

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