School of Engineering Technology, Fuel Laboratory of Renewable Energy (FLORE), Purdue University, West Lafayette, 47907 IN, USA.
Department of Medicinal Chemistry and Molecular Pharmacology, Purdue Interdepartmental NMR Facility, Purdue University, West Lafayette 47907 IN, USA.
Talanta. 2018 Aug 15;186:140-146. doi: 10.1016/j.talanta.2018.04.059. Epub 2018 Apr 22.
Liquid transportation fuels in the middle distillate range contain thousands of hydrocarbons making the predictions and calculations of properties from composition a challenging process. We present a new approach of hydrogen content determination by comprehensive two-dimensional gas chromatography with flame ionization detector (GC×GC-FID) using a weighted average method. GC×GC-FID hydrogen determination precision was excellent (0.005 wt% repeatability). The method accuracy was evaluated by high-resolution nuclear magnetic resonance (NMR) technique, which is non-biased, measures the H signal directly and was independently validated by controls in the current study. The hydrogen content (in the range of 12.72-15.54 wt%) in 28 fuel samples were determined using GC×GC-FID. Results were within ± 2% of those obtained via NMR. Owing to the fact that NMR is accepted as an accurate technique for hydrogen content determination, the GC×GC method proposed in this study can be considered precise and accurate.
中间馏分液体运输燃料包含数千种碳氢化合物，因此根据成分预测和计算性质是一项具有挑战性的工作。我们提出了一种新的方法，即使用综合二维气相色谱法与火焰离子化检测器（GC×GC-FID），通过加权平均法来测定氢含量。GC×GC-FID 氢测定精度非常高（重复性为 0.005wt%）。该方法的准确性通过高分辨率核磁共振（NMR）技术进行评估，该技术是无偏的，可直接测量 H 信号，并且在本研究中通过对照品进行了独立验证。使用 GC×GC-FID 测定了 28 个燃料样品中的氢含量（范围为 12.72-15.54wt%）。结果与 NMR 法获得的值在 ±2%以内。鉴于 NMR 被认为是一种用于氢含量测定的准确技术，因此本研究中提出的 GC×GC 方法可以被认为是精确和准确的。
