化工学报2025，Vol.76Issue(2)：543-553,11.DOI:10.11949/0438-1157.20241047
基于GC×GC-TOF MS的煤液化产物油分子组成结构表征
Molecular composition and structure characterization of coal liquefaction product oil based on GC×GC-TOF MS
摘要
Abstract
The molecular composition of the direct coal liquefaction products is complex.It is of great significance to explore the detailed molecular composition of the direct coal liquefaction products for the optimization of the coal-to-oil process.Comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry/hydrogen flame ionization detector(GC×GC-TOF MS/FID)method was established for the qualitative and quantitative characterization of composition and structure of coal liquefaction oil and its hydrogenation process products at the molecular level,which revealed the hydrogenation reaction law of coal liquefaction.The molecular composition characterization technology of GC×GC-TOF MS liquefied oil preliminarily solved the problem that multiple compounds co-escape in one-dimensional chromatography due to the same retention time through the difference of molecular polarity in two dimensions.After hydrogenation of coal liquefaction oil,the content of cycloalkanes increases and the content of aromatics decreases.In the circulating solvent,the hydrogen dissolving and supplying hydrogen is mainly achieved through the hydrogenation of three-ring and four-ring aromatic molecules to varying degrees.In addition,the GC×GC-TOF MS/FID characterization technology of hydrocarbon group composition was also established for direct coal liquefaction naphtha and diesel.Compared with the group composition content of straight-run hydrogenated diesel and gasoline,the direct coal liquefaction products diesel and gasoline contain more monocyclic,bicyclic and tricyclic alkanes.关键词
煤制油/加氢/化学分析/GC×GC-TOF MS/分子工程/定性定量Key words
coal to oil/hydrogenation/chemical analysis/GC×GC-TOF MS/molecular engineering/qualitative and quantitative分类
能源科技引用本文复制引用
李奕菲,苏沿霏,尹甜,姜浩强,许志明,张霖宙,史权,徐春明..基于GC×GC-TOF MS的煤液化产物油分子组成结构表征[J].化工学报,2025,76(2):543-553,11.基金项目
国家自然科学基金项目(22222815) （22222815）
国家能源集团科技项目(GJNY-23-23) （GJNY-23-23）
