近红外光谱测定喷气燃料馏程的应用研究

Study on Distillation of Jet Fuel by Near Infrared Spectrum

以50个喷气燃料样品的近红外光谱数据和它们对应的化学测定数据为基础,对喷气燃料的馏程(初馏点,10%,20%,50%,90%)建立了校正模型。在所有的校正模型中,原始谱图经过二阶微分和偏最小二乘法(PLS)和完全交互验证法处理,校正模型的决定系数(R2)分别为0.808 7,0.796 5,0.693 6,0.649 9,0.740 4,校正集样本的标准偏差(SEC)分别为1.571,0.485,0.736,0.387,0.575。试验结果表明:该方法具有分析速度快、操作简单等特点。

The analysis of distillation in 50 jet fuel samples was carried out by using CCD near infrared spectrum, and the NIR data were pretreated by the second derivative, and the calibration models were built using the partial least square （PLS） in the region of the 700 nm- 1 100 nm wavelength. The result shows that the error obtained through common chemical methods is almost the same as the one through CCD near infrared spectroscopy. The standard error of calibration （SEC） were 1. 571,0. 485, 0. 736,0. 387,0. 575 and the determination coefficient （R^2 ） were 0. 808 7,0. 796 5,0. 693 6,0. 649 9, 0. 740 4, which proves that this technique is well suitable for rapid quantitative determination of the distillation of jet fuel, and is simple, cheap, and can present real time result.