喷气燃料性质的拉曼光谱分析

Determination of Properties of Jet Fuel Using Raman Spectroscopy

采用便携式激光拉曼光谱仪(激光光源为785 nm)测定并分析了喷气燃料的拉曼光谱特征。对拉曼光谱进行预处理,消除光源和噪音等影响,选取一定波长区间的光谱数据,结合偏最小二乘方法,采用去一法交互验证,建立了3号喷气燃料的10个理化性质模型。结果表明,可以采用便携式拉曼光谱仪测定喷气燃料冰点、粘度(20℃)、闪点、初馏点、10%回收温度、20%回收温度、50%回收温度、90%回收温度、终馏点和密度等质量指标,验证分析偏差(RMSEP)依次为1.4℃、0.020 mm2/s、1.6℃、0.001 g/cm3、2.4℃、1.4℃、1.2℃、1.0℃、1.5℃和3.6℃,低于或接近标准方法再现性要求。方法具有多参数、快速、不破坏样品、操作简便等优点,可用于现场喷气燃料质量的检测。

A Raman spectra of jet fuel was scaned using laser Raman spectrometer equipped with 785 nm laser detector, and the characteristics of Raman spectra were analyzed. After the Raman spectra were preprocessed to avoid the influence of laser power and noise, regression models of ten physical - chemical properties, e. g. freezing point, viscosity（20 ℃ ）, flash point, initial boiling point（ IBP）, 10% boiling temperature （ T10）, 20% boiling temperature （ T20）, 50% boiling temperature （ T50）, 90% boiling temperature（T90）, final boiling point （FBP） and density, were established by selecting some spectra data combination with partial least square（PLS） method. The leave-one-out cross- validation was taken to evaluate the performance of model. The result indicated that the standard errors of prediction set of the freezing point, viscosity, flash point, IBP, T10, T20, T50, T90, FBP and density were 1. 4℃, 0.020 mm^2/s, 1.6 ℃, 0.001 g/cm^3, 2.4 ℃, 1.4 ℃, 1.2 ℃, 1.0 ℃, 1.5 ℃ and 3.6 ℃, respectively, which were approximate or lower than reproducibility of the standard method. The method showed the advantages of simplicity, accuracy, non-destructive and muhi-properties analysis, and could be applied to detect the quality of jet fuel on-site.