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碳氢化合物的红外光谱识别
引用本文:邹璐,冯新泸,谢智浩.碳氢化合物的红外光谱识别[J].后勤工程学院学报,2012(3):66-70.
作者姓名:邹璐  冯新泸  谢智浩
作者单位:后勤工程学院后勤信息工程系;北京航空航天大学电子信息工程学院
基金项目:总后勤部军需物资油料部资助项目(油20070215)
摘    要:碳氢化合物红外光谱特征吸收主要为甲基、亚甲基等结构基团的振动吸收,特征性不强,但C—C主链红外光谱振动吸收能表达不同碳氢化合物的分子结构特征。应用碳氢化合物红外光谱指纹区谱图形貌特征,建立了根据C—C主链红外光谱识别碳氢化合物的方法。研究结果表明,采用指纹区提供的特征信息能够实现对不同结构碳氢化合物的识别,准确率高达99%,优于采用碳氢化合物甲基、亚甲基等结构基团的红外光谱振动吸收信息获得的识别结果。

关 键 词:红外光谱  指纹区  碳氢化合物  数据库  物质识别

Identification of Hydrocarbon by Infrared Spectra
ZOU Lu,FENG Xin-lu,XIE Zhi-hao.Identification of Hydrocarbon by Infrared Spectra[J].Journal of Logistical Engineering University,2012(3):66-70.
Authors:ZOU Lu  FENG Xin-lu  XIE Zhi-hao
Institution:1.Dept.of Logistical Information Engineering,LEU,Chongqing 401311,China;2.School of Electrical and Information Engineering,Beijing University of Aeronautics and Astronautics,Beijing 100083,China)
Abstract:Petroleum products consist of hydrocarbons with different structures,and main characteristic absorption bands of infrared spectra of hydrocarbons are vibration absorption of structure groups,such as methyl,and methylene.These groups give the information of molecule structure characteristics of different hydrocarbons,though their infrared characteristics are not obvious and vibration absorption of C—C bounds in hydrocarbon is ignored on classification.A new approach is established attempting to identify hydrocarbons by extracting the characteristic features of infrared spectra of C—C bounds.The result shows that the method of using the characteristics of fingerprint region of infrared spectra to identify hydrocarbons with different structures is available.Its discrimination rate is compared favorably with that obtained by using information from the absorption bands of infrared structure groups,which reaches 99%.
Keywords:infrared spectrum  fingerprint region  hydrocarbon  database  material identification
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