Novel Strategy To Analyze Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Data of Biomass Pyrolysis Oil for Oligomeric Structure Assignment
Novel Strategy To Analyze Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Data of Biomass Pyrolysis Oil for Oligomeric Structure Assignment
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DOI：
10.1021/acs.energyfuels.0c01687
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发表时间：
2020-06
期刊：
影响因子：
5.3
通讯作者：
Evan Terrell;M. García-Pérez
中科院分区：
文献类型：
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作者：
Evan Terrell;M. García-Pérez
生物质热解产物分析最突出的挑战之一是生物油中丰富的低聚物部分的表征。该部分主要由液相中的热解木质素和脱水的、高度改性的糖低聚物（称为腐殖质）组成。用于分析这种低聚物组分的新兴技术是高分辨率傅里叶变换离子回旋共振质谱 (FT-ICR MS)，它可以准确确定检测到的低聚物的 CxHyOz 公式。此外，使用简单的脱水和裂解反应方案，可以从纤维素、半纤维素和木质素衍生的低聚物（它们是主要解聚产物）开发类似的配方。在这项研究中，FT-ICR MS 分析与组合脱水和裂解模型相结合，将实验检测到的生物油低聚物与其在热解过程中形成的假设途径相匹配。通过这种方式，我们提出了一种新的策略，通过该策略可以为生物油提出低聚结构。使用这种方法，可以增进对包含生物油低聚物部分的分子结构以及这些结构在生物质热解反应期间形成的途径的理解。
Among the most prominent challenges for the analysis of biomass pyrolysis products is the characterization of the abundant oligomer fraction of bio-oil. This fraction is principally made up of pyrolytic lignins and dehydrated, highly modified sugar oligomers, called humins, in liquid phase. An emerging technique for analysis of this oligomer fraction is high-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which allows for accurate determination of CxHyOz formulas for detected oligomers. Additionally, using simple dehydration and fragmentation reaction schemes, similar formulas can be developed from cellulose-, hemicellulose-, and lignin-derived oligomers, which are primary depolymerization products. In this study, FT-ICR MS analysis is coupled with combinatoric dehydration and fragmentation modeling to match experimentally detected bio-oil oligomers with hypothetical pathways for their formation during pyrolysis. In this way, we present a novel strategy by which oligomeric structures can be proposed for bio-oils. Using this approach, it becomes possible to advance the understanding of both the molecular structures comprising the bio-oil oligomer fraction and the pathways by which these structures form during biomass pyrolysis reactions.