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乳液中拉曼光谱的校正机制。

Correction mechanism for Raman spectroscopy in emulsions.

作者信息

Spoor Erik, Rädle Matthias, Repke Jens-Uwe

机构信息

CeMOS Research and Transfer Center, Technical University of Applied Sciences Mannheim, Paul-Wittsack-Str. 10, Mannheim, 68163, Germany.

Process Dynamics and Operations Group, Technische Universität Berlin, Straße des 17. Juni 135, Berlin, 10623, Germany.

出版信息

Anal Bioanal Chem. 2025 Jun 11. doi: 10.1007/s00216-025-05925-w.

Abstract

When the concentration of a fluid mixture is measured with Raman spectroscopy in emulsions instead of pure liquids, the signal strength is influenced by the light scattering of the droplets which gives wrong results. This work investigates this influence in the example of a water-toluene-acetone emulsion. For this purpose, the Raman spectroscopy is supported by a scattered light probe, which is intended to quantify the light losses when the dispersed toluene phase increases. The scattered light probe is aligned with the focal point of the Raman probe and detects the light from the 785 nm laser scattered by droplets. The aim is to determine the effects of emulsions on Raman spectroscopy dependent on the concentration of the disperse phase and to determine the acetone concentration of the mixture. The Raman signal decreases with increasing turbidity due to the disperse phase and the concentration of acetone can than no longer be determined from the signal. However, the increase in droplets increases the scattering of the excitation light, whereby a reduction in signal strength is detected. These measurements can be correlated to create a correction function. This makes it possible to correct the measured data of the acetone up to an RMSEP of 1.5 wt%.

摘要

当使用拉曼光谱法在乳液而非纯液体中测量流体混合物的浓度时,信号强度会受到液滴光散射的影响,从而得出错误的结果。这项工作以水 - 甲苯 - 丙酮乳液为例研究这种影响。为此,拉曼光谱法由一个散射光探头辅助,该探头旨在量化当分散的甲苯相增加时光的损失。散射光探头与拉曼探头的焦点对齐,并检测由液滴散射的785纳米激光的光。目的是确定乳液对拉曼光谱的影响如何取决于分散相的浓度,并确定混合物中丙酮的浓度。由于分散相导致浊度增加,拉曼信号会降低,此时无法再从信号中确定丙酮的浓度。然而,液滴的增加会增加激发光的散射,从而检测到信号强度的降低。这些测量结果可以相互关联以创建一个校正函数。这使得能够对丙酮的测量数据进行校正,校正后的均方根误差预测(RMSEP)可达1.5 wt%。

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