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Rapid detection of gasoline by a portable Raman spectrometer and chemometrics

机译:便携式拉曼光谱仪和化学计量学快速检测汽油

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摘要

Identification of the gasoline purity is important for quality control and detection of gasoline adulteration. Principal component analysis and Raman spectroscopy were used to authenticate gasoline adulterated with methyl tert-butyl ether (MTBE) and benzene. Gasoline could be clearly distinguished from gasoline adulterated with MTBE and benzene by a plot of the first principal component (x-axis) against the second principal component (y-axis). And the radial basis function neural network was used for quantitative prediction of the volume percentages of MTBE and benzene in gasoline based on Raman Spectra. The correlation coefficient (r) and mean absolute percentage error between predictive values and spiked values were 0.9907 and 0.9934 and 15.73 and 8.19%, respectively. Moreover, the Raman spectra of the samples were obtained with a portable Raman spectrometer. Therefore, the method is simple, effective, fast, does not require sample pre-processing, and is promising for rapid gasoline detection.
机译:汽油纯度的鉴定对于质量控制和汽油掺假检测很重要。主成分分析和拉曼光谱用于鉴定掺有甲基叔丁基醚(MTBE)和苯的汽油。通过将第一主成分(x轴)相对于第二主成分(y轴)作图,可以将汽油与掺有MTBE和苯的掺假汽油区分开。并利用径向基函数神经网络基于拉曼光谱对汽油中MTBE和苯的体积百分比进行定量预测。预测值和峰值之间的相关系数(r)和平均绝对百分比误差分别为0.9907和0.9934,以及15.73和8.19%。此外,样品的拉曼光谱是用便携式拉曼光谱仪获得的。因此,该方法简单,有效,快速,不需要样品前处理,有望用于汽油的快速检测。

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