Distinguishing C8 alkane isomers: Application of TSE-PSYCHE and CSSF TOCSY NMR techniques

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel Pub Date : 2024-11-12 DOI:10.1016/j.fuel.2024.133696

Wenbo Dong , Minjun Ma , Qi Zhao , Shuwei Chen , Yingxiong Wang , Yan Qiao

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引用次数: 0

Abstract

The composition of hydrocarbon fuels, particularly C8 alkane isomers, has a profound impact on their combustion characteristics. Even with same carbon number, the varying degrees of branching can significantly influence these properties. Thus, qualitative and quantitative analyses of C8 fuel components is essential. However, due to highly their structural similarities and analogous physicochemical properties, analyzing these components by chromatographic methods is often a tedious and challenge task. Here, we introduce novel NMR methods utilizing TSE-PSYCHE and CSSF TOCSY NMR technology to qualitatively and quantitatively analyze a mixture of all 16 isomers of octane. These methods have successfully achieved virtual separation of 14 components, a significant feat considering the potential for overlap in conventional ¹H NMR analysis. Moreover, employing 2,2,4-trimethylpentane as a typical compound, the application of the quantitative analysis method was illustrated. By determining the LOD at 0.6 mM and the LOQ at 1.2 mM for this C8 compound, the sensitivity and applicability of the approach were demonstrated. The accuracy was confirmed with biases ranging from 1.5 % to 7 %, and the precision was evidenced by a relative standard deviation (RSD) of 4.1 %. These measurements underscore the method’s reliability and precision in quantifying components within complex hydrocarbon mixtures.

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区分 C8 烷烃异构体：TSE-PSYCHE 和 CSSF TOCSY NMR 技术的应用

碳氢化合物燃料的成分，尤其是 C8 烷烃异构体，对其燃烧特性有着深远的影响。即使碳数相同，不同的支化程度也会对这些特性产生重大影响。因此，对 C8 燃料成分进行定性和定量分析至关重要。然而，由于其结构高度相似且理化性质类似，用色谱法分析这些成分往往是一项繁琐而艰巨的任务。在此，我们介绍了利用 TSE-PSYCHE 和 CSSF TOCSY NMR 技术定性和定量分析辛烷全部 16 种异构体混合物的新型 NMR 方法。考虑到传统的 1H NMR 分析可能会出现重叠，这些方法成功地实现了 14 种成分的虚拟分离，这是一项重大成就。此外，以 2,2,4-三甲基戊烷为典型化合物，说明了定量分析方法的应用。通过测定这种 C8 化合物在 0.6 mM 时的 LOD 和 1.2 mM 时的 LOQ，证明了该方法的灵敏度和适用性。准确度在 1.5 % 到 7 % 之间，相对标准偏差 (RSD) 为 4.1 %。这些测量结果凸显了该方法在定量复杂碳氢化合物混合物成分方面的可靠性和精确性。

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来源期刊

Fuel 工程技术-工程：化工

CiteScore

12.80

自引率

20.30%

发文量

3506

审稿时长

64 days

期刊介绍： The exploration of energy sources remains a critical matter of study. For the past nine decades, fuel has consistently held the forefront in primary research efforts within the field of energy science. This area of investigation encompasses a wide range of subjects, with a particular emphasis on emerging concerns like environmental factors and pollution.