Talanta ( IF 5.6 ) Pub Date : 2023-03-13 , DOI: 10.1016/j.talanta.2023.124451 David C Bell 1 , John Feldhausen 1 , Aaron J Spieles 2 , Randall C Boehm 1 , Joshua S Heyne 3
The vacuum ultraviolet detector for gas chromatography can be used to identify structural differences between isomers with similar chromatographic elution times, which adds detail to characterization, valuable for prescreening of sustainable aviation fuel candidates. Although this capability has been introduced elsewhere, vacuum ultraviolet spectroscopy for saturated hydrocarbons has been examined minimally, as the similarities between their spectra are much less significant than their aromatic counterparts. The fidelity with which structural differences can be identified has been unclear. In this work, all possible structural isomers of C8H18 are measured and determined to have unambiguously unique vacuum ultraviolet spectra. Using a statistically based residual comparison approach, the concentration limits at which the spectral differences are interpretable are tested in both a controlled study and a real fuel application. The concentration limit at which the spectral differences between C8H18 isomers are unambiguous is below 0.40% by mass and less than 0.20% with human discretion in our experimental configuration.
中文翻译:
将 VUV 光谱应用于 GC×GC 分离的 C8H18 异构体的鉴定限度
用于气相色谱的真空紫外检测器可用于识别具有相似色谱洗脱时间的异构体之间的结构差异,这为表征增加了细节,对于可持续航空燃料候选物的预筛选有价值。尽管此功能已在其他地方引入,但对饱和烃的真空紫外光谱进行了最低限度的检查,因为它们光谱之间的相似性远不及芳香族对应物。可以识别结构差异的保真度一直不清楚。在这项工作中,C 8 H 18所有可能的结构异构体测量并确定具有明确独特的真空紫外光谱。使用基于统计的残留比较方法,在受控研究和实际燃料应用中测试光谱差异可解释的浓度限制。在我们的实验配置中,C 8 H 18异构体之间的光谱差异明确的浓度限值低于 0.40%(按质量计)且低于 0.20%(由人为判断)。