近红外光谱法测定柴油中的芳烃含量

Determination of Aromatic Hydrocarbons in Diesel by Near Infrared Spectroscopy

研究了采用近红外光谱测定柴油中芳烃含量的方法。通过高效液相色谱分离、移动丝氢火焰检测器检测获得柴油中芳烃的基础数据。在５０００～１００００ｃｍ－１波长范围内，应用傅立叶变换近红外光谱仪，交互检验偏最小二乘方法对使用的光谱范围进行优化。所得校正模型对训练集样品预测的平均偏差为０２３％，对未知样品将近红外预测结果与ＨＰＬＣ的测定结果比较，平均偏差为０２７％。作为一种快速分析技术，近红外光谱测定柴油中的芳烃含量是简便可靠的方法。

In this paper,a method for the determination of aromatic hydrocarbons in diesel products by near infrared spectroscopy is presented.The aromatics content in the diesel samples which were used as trained set for building calibration model was determined by high performance liquid chromatography with moving wire flame ionization detector.The spectral region of 5 000～10 000 cm -1 spectral region was optimized by using Fourier transform near infrared spectrometer together with cross validated partial least squares regression.The mean deviation between the determined value by HPLC and the predicted value for trained set samples is 0.23%,and an excellent correlation is obtained ( R 2=0 906 4).The mean deviation for unknown samples determined by HPLC and NIR is 0.27%.