作者：徐贺明, 李建华, 崔建方, 梁逸曾

作者单位：1. 北京化工大学化学工程学院, 北京 100029;
2. 开滦煤化工研发中心, 河北 唐山 063611;
3. 中南大学化学化工学院, 湖南 长沙 410083

关键词：拉曼光谱;汽油;芳烃;烯烃;特征波段

摘要：

该研究采用拉曼光谱法对汽油中的总芳烃和总烯烃含量进行直接测定,通过随机蛙跳方法选择特征波段并采用偏最小二乘法建立模型。总芳烃模型的测试集相关系数为0.985,预测均方根误差为1.08,总烯烃模型的测试集相关系数为0.942,预测均方根误差为0.78。结果表明模型相关性较好,可满足实际应用需求,为拉曼光谱在汽油成分检测中的应用奠定基础。

Rapid determination of aromatic hydrocarbon and olefin hydrocarbon content in gasoline by raman spectroscopy

XU Heming, LI Jianhua, CUI Jianfang, LIANG Yizeng

1. College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China;
2. Coal Chemical R&D Center of Kailuan Group, Tangshan 063611, China;
3. College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China

Abstract: In this paper, the Raman spectroscopy was used to determine the contents of aromatic hydrocarbon and olefin hydrocarbon in gasoline. Random Frog method was employed to select the Raman bands and the best model was established on the basis of optimized conditions. The correlation coefficients of prediction were 0.985 and 0.942 for aromatic hydrocarbon and olefin hydrocarbon, respectively. The RMSEP (Root Mean Square Error of Prediction) was 1.08 and 0.78, respectively.The results show this model has good linear correlation and adapt to the practical application demand,lay a foundation for gasoline composition detection used raman spectroscopy.

Keywords: raman spectroscopy;gasoline;aromatic hydrocarbon;olefinic hydrocarbon;raman bands

2015, 41(8): 40-43  收稿日期: 2015-1-3;收到修改稿日期: 2015-3-17

基金项目: 国家自然科学基金项目(21275164)

作者简介: 徐贺明(1962-),男,高级工程师,主要从事能源化工技术及管理工作。

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