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Structural Analysis of Primary Coal Tar by FD-MS

机译：FD-MS对初级煤焦油的结构分析

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Understanding chemical structure of primary coal tar is substantially important to promote advanced application and utilization of coal where chemical reaction plays a key role. Mass spectrometry allows us to characterize complex mixture like coal tar pitch, coal extractions, and heavy oil. In the present study, two kinds of primary coal tar A and B were prepared from different types of coal A (bituminous coal) and B (subbituminous coal). The main components such as Hexane Soluble (HS) and Hexane Insoluble-Toluene Soluble (HI-TS) fractions obtained by extraction of each tar were measured by Field Desorption Mass Spectrometry (FD-MS) to determine their constituent chemical structures. The ~(1)H NMR spectra of HS and HI-TS were measured to confirm the reliability of proportion of hydrogen types that have been determined by FD-MS. As a result, both of the proportions in HS fractions were found to be almost consistent, while those in HI-TS fractions show a difference because of their more complex chemical components than HS fractions. Based on the combined analysis of FD-MS and NMR, we concluded that the HS in primary coal tar A mainly consists of polycyclic aromatic hydrocarbons (PAHs) and aliphatic structures including aromatic carbons, while the HS in primary coal tar B mainly consists of aliphatic structures. These results suggest that determining chemical structures and their ratios only from FD-MS spectra is useful to concretely clarify difference between some types of primary coal tar.
机译：了解初级煤焦油的化学结构对于促进化学反应发挥关键作用的煤炭的先进应用和利用，基本很重要。质谱允许我们表征煤焦沥青，煤提取和重油等复杂的混合物。在本研究中，两种初级煤焦α和B由不同类型的煤A（烟煤）和B（亚脱煤）制备。通过场解吸质谱（FD-MS）测量通过提取每种焦油的己烷可溶性（HS）和己烷不溶 - 甲苯可溶性（HI-TS）级分，以确定它们的组成化学结构。测量HS和HI-TS的〜（1）H NMR光谱以确认通过FD-MS确定的氢类型比例的可靠性。结果，发现HS级分中的两种比例几乎是一致的，而HI-TS级分的那些则显示出差异，因为它们比HS级分更复杂的化学成分。基于FD-MS和NMR的组合分析，我们得出结论，原发性煤焦油中的HS主要由多环芳烃（PAH）和包括芳香碳的脂族结构组成，而原发性煤焦B中的HS主要由脂肪族组成结构。这些结果表明，仅从FD-MS光谱确定化学结构及其比例可用于具体地阐明某些类型的原煤焦油之间的差异。

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