1H and 13C NMR Analysis of Gas Turbine Fuels As Applied to the Advanced Distillation Curve Method
1H and 13C NMR Analysis of Gas Turbine Fuels As Applied to the Advanced Distillation Curve Method
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DOI：
10.1021/acs.energyfuels.5b01035
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发表时间：
2015-08-01
期刊：
影响因子：
5.3
通讯作者：
Bruno, Thomas J.
中科院分区：
文献类型：
--
作者：
Burger, Jessica L.;Widegren, Jason A.;Bruno, Thomas J.
本文报道了H-1和C-13核磁共振（NMR）谱技术应用于显式成分高级蒸馏曲线法对燃气轮机燃料的分析。为了证明这些燃料的普遍适用性，对8个独立的燃料样品进行了表征：一个JP-S样品，一个JP-8样品和6个Jet-A样品。采用高级蒸馏曲线（ADC）法得到了每种燃料的馏分。用H-1和C-13核磁共振分析这些馏分，以及未蒸馏残渣（即蒸馏90 vol %后釜中剩余的未蒸馏液体）和纯净燃料。核磁共振光谱学对分析复杂的碳氢化合物混合物很有用，因为它提供了各种碳氢化合物的摩尔分数，如芳烃和线性烷烃，而不需要校准。核磁共振波谱还可以随时获得每种燃料样品组分的其他平均性质，例如烷烃分支的程度和类型。例如，脂肪链β位置分支点的丰度在不同馏分中变化不大；然而，脂肪链内部的分支在蒸馏过程中大约增加了一倍。对于较重的燃料组分，内部分支与β和γ位置的分支同样重要。这些信息对于开发可靠的热物理模型所需的实际燃料替代品是有用的。最后，我们将核磁共振光谱获得的结果与先前报道的相同燃料样品的GC- MS和GC- fid分析进行了比较。
The analysis of gas turbine fuels by H-1 and C-13 nuclear magnetic resonance (NMR) spectroscopy as applied to the composition-explicit advanced distillation curve method is reported. To demonstrate the general applicability for such fuels, eight independent fuel samples were characterized: one sample of JP-S, one sample of JP-8, and six samples of Jet-A. Distillate fractions were obtained for each fuel by use of the advanced distillation curve (ADC) method. These fractions were analyzed by H-1 and C-13 NMR, along with the undistilled residue (i.e., the undistilled liquid remaining in the kettle after 90 vol % had been distilled) and the neat fuel. NMR spectroscopy is useful for the analysis of complex hydrocarbon mixtures because it provides the mole fractions of various classes of hydrocarbons, such as aromatics and linear alkanes, without the need to calibrate. NMR spectroscopy also gives ready access to other average properties for the components of each fuel sample, such as the extent and type of alkane branching. For example, the abundance of branch points at the beta position of aliphatic chains changes little for the various distillate fractions; however, branching on the interior of the aliphatic chains approximately doubles over the course of the distillation. For the heavier fractions of the fuel, interior branching becomes as important as branching at the beta and gamma positions. Such information is useful for the development of realistic fuel surrogates required for reliable thermophysical models. Finally, we compare the results obtained by NMR spectroscopy to previously reported GC MS and GC-FID analyses of the same fuel samples.