摘要
基于全二维气相色谱-飞行时间质谱法(GC×GC-TOF MS)建立了煤直接液化加氢改质轻油中环烷烃分子结构的表征方法。通过综合运用谱库检索、标准物质对照、保留指数、谱图解析、标准质谱图对照、全二维谱图特征分析以及提取化合物特征离子等多种定性手段,对TOF MS采集的数据进行分析。结果显示:煤直接液化加氢改质轻油中主要含有链烷烃类、一环烷烃类、二环烷烃类、烷基苯类和一环烷基苯类等5种族类化合物;环烷烃主要以一环烷烃和二环烷烃为主,一环烷烃主要为带侧链的C1~C5环戊烷、C1~C4环己烷和C1环庚烷;二环烷烃主要为六元环串联或并联一个五元环、两个并联的六元环以及两个串联的五元环;从相对含量(质谱峰面积百分比)上看,一环烷烃中C8化合物的相对含量最高,二环烷烃中C9化合物的相对含量最高。
A method characterization for the molecular structure of naphthenes in hydromodified light oil of direct coal liquefaction was established by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry(GC×GCTOF MS).The data collected by TOF MS were analyzed by comprehensively applying multiple qualitative methods,including spectral library searching,comparison of standard substances,retention index,spectrum analysis,comparison with standard mass spectra,analysis of the characteristics of comprehensive two-dimensional spectra,and extraction of characteristic ions of compounds.As shown by the results,the hydromodified light oil of direct coal liquefaction mainly contained 5 types of compounds,including alkane,monocyclic alkane,dicyclic alkane,alkyl benzene and monocyclic benzene.Naphthenes were mainly consisted of monocyclic alkanes and dicyclic alkanes.The monocyclic alkanes were mainly C1-C5 cyclopentanes with side chains,C1-C4 cyclohexanes with side chains,and C1 cycloheptane with side chains.The dicyclic alkanes were mainly a six-membered ring connected in series or in parallel with a five-membered ring,two six-membered rings connected in parallel,and two five-membered rings connected in series.In terms of relative content(percentage of peak area in mass spectrometry),C8 compounds had the highest relative content in monocyclic alkanes,C9 compounds had the highest relative content in dicyclic alkanes.
作者
李群花
王洪学
单贤根
白雪梅
LI Qunhua;WANG Hongxue;SHAN Xiangen;BAI Xuemei(China Energy Cornerstone Chemical Technology(Shanghai)Co.,Ltd.,Shanghai 201108,China)
出处
《理化检验(化学分册)》
北大核心
2025年第7期844-851,共8页
Physical Testing and Chemical Analysis(Part B:Chemical Analysis)
基金
国家能源集团中国神华煤制油化工有限公司科技创新项目(MZYHG-2021-05)。
关键词
煤直接液化加氢改质轻油
全二维气相色谱
飞行时间质谱
分子识别
环烷烃
hydromodified light oil of direct coal liquefaction
comprehensive two-dimensional gas chromatography
timeof-flight mass spectrometry
molecular recognition
naphthene
作者简介
李群花,高级工程师,硕士,研究方向为煤直接液化油分子水平表征,20014315@chnenergy.com。
