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Comparison of near infrared and Raman spectroscopies for determining the?cetane index of hydrogenated gas oil

机译:近红外线和拉曼光谱法测定氢化瓦尔氢化汽油的十六烷指数的比较

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The standard method (ISO 4264) for determining the cetane index of hydrogenated gas oil is time-consuming and expensive for routine laboratory tests. Conversely, near infrared (NIR) and Raman spectroscopies are high-speed and cost-effective techniques. In this study, these tools were used to create two models for the determination of the hydrogenated gas oil cetane index. First, ISO 4264 was used to measure the cetane index for 45 real samples used as calibration standards. Then, to create the models, the same samples were measured using NIR and Raman spectroscopies. The model values were then correlated against the ISO values. The Raman model predicted cetane index values with a maximum absolute difference of 1.2 from the ISO, while the NIR model showed a difference of 0.3. Finally, 10 additional real samples were used as validation standards to compare the models. The NIR model predicted values with better cross-validation error and lower absolute differences (NIR 0.334, Raman 0.654) from the ISO values compared to the Raman model. Thus, the NIR model is a fast and accurate method that can partially substitute for ISO 4264 when performing routine laboratory tasks.
机译:用于确定氢化气体油的十六烷指数的标准方法(ISO 4264)是耗时和昂贵的常规实验室测试。相反,近红外(NIR)和拉曼光谱是高速和经济高效的技术。在这项研究中,这些工具用于制造两种模型,用于测定氢化气体油十分甲烷指数。首先,ISO 4264用于测量用作校准标准的45个真实样品的十六烷值。然后,为了创建模型,使用NIR和拉曼光谱法测量相同的样品。然后将模型值与ISO值相关联。拉曼模型从ISO中预测了第五份索引值,最大绝对差为1.2,而NIR模型显示出0.3的差异。最后,将10个额外的真实样品用作验证标准来比较模型。与RAMAN模型相比,NIR模型预测具有更好的交叉验证误差和较低的跨验证误差和较低的绝对差异(NIR 0.334,拉曼0.654)。因此,NIR模型是一种快速准确的方法,可以在执行日常实验室任务时部分替代ISO 4264。

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