GC-MS测定中间馏分油烃类分子组成研究与应用  

Research and Application on the Determination of HydrocarbonMolecular Composition in Middle Distillate Oil by GC-MS

作　　者：王乃鑫 刘泽龙 杨静 马苏甜 孙岩峰 刘颖荣 WANG Naixin;LIU Zelong;YANG Jing;MA Sutian;SUN Yanfeng;LIU Yingrong(SINOPEC Research Institute of Petroleum Processing Co.,Ltd.,Beijing 100083,China)

机构地区：[1]中石化石油化工科学研究院有限公司,北京100083

出　　处：《石油学报（石油加工）》2024年第3期774-783,共10页Acta Petrolei Sinica(Petroleum Processing Section)

基　　金：国家重点研发计划项目(2022YFA1504403)基金资助。

摘　　要：基于操作简便、普及度高的气相色谱-四极杆质谱(GC-MS),利用模拟碳数切割与碳数校正,建立快速分析中间馏分油烃类碳数分布分子组成表征方法。该方法与测定中间馏分油烃类族组成标准分析方法NB/SH/T 0606—2019使用相同的仪器配置,在不增加硬件设备与分析时间的条件下,30 min即可同时得到烃类族组成、碳数分布以及正、异构链烷烃碳数分布等分子组成信息。利用该方法测定的碳数分布数据与配置软电离源的气相色谱-场电离飞行时间质谱(GC-FI TOFMS)测定数据基本一致。利用烃类分子组成计算出的碳、氢元素含量与标准分析方法NB/SH/T 0656—2017的测定结果相符。根据GC-MS测定的烃类分子组成数据,预测了45个柴油的十六烷值,预测值与实测值的偏差在±2.0之间。建立的表征方法解决了以往只有使用配置软电离源的中高分辨率质谱才能实现中间馏分油烃类分子组成表征的难题,在保障数据质量的前提下,降低了仪器成本,节省了实验时间,提高了分析效率。Based on gas chromatography-mass spectrometry(GC-MS)featured with easy operation and widespread application,the methods for rapid analysis of hydrocarbon carbon number distribution in middle distillate oil and characterization of molecular composition were established by simulated carbon number cutting and correction.This method uses the same instruments with the standard analytical method NB/SH/T 0606—2019 for determining the composition of hydrocarbons in middle distillate oil.Using GC-MS with the same instrument configuration applied in NB/SH/T 0606—2019 and without adding analytical time,the hydrocarbon group composition,carbon number distribution and composition of normal and isomeric paraffins can be obtained simultaneously within 30 minutes.The carbon number distribution data measured by this method is basically consistent with the data determined by the gas chromatography-field ionization time of flight mass spectrometry(GC-FI TOFMS)using a soft ionization source.The carbon and hydrogen contents calculated from hydrocarbon molecular composition are consistent with the results determined by the standard analytical method NB/SH/T 0656—2017.The cetane number of 45 diesel fuels are predicted according to the hydrocarbon molecular composition determined by GC-MS.The deviation between the predicted and measured values is within±2.0.The problem that the hydrocarbon molecular composition of middle distillate oil can be only characterized by medium-high resolution soft ionization mass spectrometry has been solved by the established characterization method.The instrument costs and experimental time can be reduced when ensuring the data quality.

关 键 词：气相色谱-质谱(GC-MS) 中间馏分油 碳数分布 烃类分子组成 十六烷值 

分 类 号：TE622[石油与天然气工程—油气加工工程]