Characterization of heteroatom-containing species in the soluble portion from the ethanolysis of the extraction residue from Xinghe lignite by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

Liu, Jing; Wei, Xian‐Yong; Zhang, Dongdong; Li, Zhan-Ku; Lv, Jing-Hui; Wang, Tie-Min; Gui, Juan; Qu, Meng; Guo, Lulu; Zong, Zhi‐Min; Li, Wen; Kong, Lingxue

doi:10.1016/j.fuel.2016.01.059

Cited by 19 publications

(7 citation statements)

References 51 publications

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“…FT-ICR MS provides nonspecific identification of molecular species within a wide range of MW (200–1000 Da) with considerable high mass resolution (better than 0.003 Da) and elucidates the detailed composition of complex samples, such as crude oils, biooils, and liquefied products of coals [ 28 , 50 , 74 , 76 , 159 , 160 ]. The species to be determined should be ionized to fragments first by an ionization source without structural changes that could potentially lead to misinterpretation of the acquired data.…”

Section: Advanced Instrumental Strategiesmentioning

confidence: 99%

Analytical Strategies Involved in the Detailed Componential Characterization of Biooil Produced from Lignocellulosic Biomass

et al. 2017

International Journal of Analytical Chemistry

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Elucidation of chemical composition of biooil is essentially important to evaluate the process of lignocellulosic biomass (LCBM) conversion and its upgrading and suggest proper value-added utilization like producing fuel and feedstock for fine chemicals. Although the main components of LCBM are cellulose, hemicelluloses, and lignin, the chemicals derived from LCBM differ significantly due to the various feedstock and methods used for the decomposition. Biooil, produced from pyrolysis of LCBM, contains hundreds of organic chemicals with various classes. This review covers the methodologies used for the componential analysis of biooil, including pretreatments and instrumental analysis techniques. The use of chromatographic and spectrometric methods was highlighted, covering the conventional techniques such as gas chromatography, high performance liquid chromatography, Fourier transform infrared spectroscopy, nuclear magnetic resonance, and mass spectrometry. The combination of preseparation methods and instrumental technologies is a robust pathway for the detailed componential characterization of biooil. The organic species in biooils can be classified into alkanes, alkenes, alkynes, benzene-ring containing hydrocarbons, ethers, alcohols, phenols, aldehydes, ketones, esters, carboxylic acids, and other heteroatomic organic compounds. The recent development of high resolution mass spectrometry and multidimensional hyphenated chromatographic and spectrometric techniques has considerably elucidated the composition of biooils.

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Section: Advanced Instrumental Strategiesmentioning

confidence: 99%

Analytical Strategies Involved in the Detailed Componential Characterization of Biooil Produced from Lignocellulosic Biomass

et al. 2017

International Journal of Analytical Chemistry

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“…Coal structures are the basis of coal utilization and have been widely studied. In the past 70 years, many researchers used chemical methods (pyrolysis, liquefaction, extraction, and oxidation, for example) − and physical methods (such as mass spectrum (MS), Fourier transform infrared spectroscopy (FTIR), 13 C nuclear magnetic resonance ( 13 C NMR), and X-ray photoelectron spectroscopy (XPS)), − to investigate the aromatic structures, aliphatic structures, and the forms of heteroatoms in coal.…”

Section: Introductionmentioning

confidence: 99%

Structures of Aromatic Clusters of Different Coals Based on Benzene Carboxylic Acids from Coal via Oxidation

Yang

Hou

et al. 2017

Energy Fuels

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Benzene carboxylic acids (BCAs) are considered to be an important group of chemicals and widely used in the chemical industry. The generation of BCAs from coal via oxidation is widely studied, indicating that the distributions of BCAs are various with different coals and the yields of BCAs with lower numbers of carboxyl groups increase in the process of coalification. However, the relationship between distributions of BCAs and the aromatic clusters of coal is unclear. In this work, combined with the results of distributions of BCAs and 13 C NMR, the most probable aromatic clusters in different coals were proposed. The result indicates that, in the process of coalification (from lignite to anthracite), the aromatic cluster size and the degree of condensed aromatic rings both increase with an increase in carbon content or coal rank, but the substituted degree of aromatic rings decreases. When the carbon content of coal is lower than 87%, the aromatic rings in coal are arranged in a linear catenation manner. When the carbon content of coal is more than 87%, aromatic rings in coal are arranged in a circular catenation manner. The substituents of aromatic clusters are distributed uniformly on the aromatic rings. With the increase of coal rank, the average substituted carbon chain length (L n ) decreases; namely, more and more aromatic clusters tend to be directly connected to others. These structural features make the yields of benzene dicarboxylic acids and benzene tricarboxylic acids (BTAs) increase with coal ranks from lignite to anthracite via oxidation. The highest yield of BCAs is benzene tetracarboxylic acids from Xiaolongtan lignite to Xuanzhong bituminous coal via oxidation. With further increasing coal rank, the highest yield of BCAs is BTAs from Pingdingshan bituminous coal to Taixi anthracite via oxidation. The proposed aromatic clusters well explain the reasons that the yields of BCAs with lower numbers of carboxyl group are significantly increased with increasing coal rank.

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“…Thus, the excess of methane and light hydrocarbons observed during the hydrotreatment of lignite can be a byproduct of the fragmentation of larger molecules during HDS. Indeed, in coal, sulfur is commonly present in side chains as alkylthio groups , during which HDS yields light hydrocarbons. It should be mentioned that the carbon in the α position to S atoms displays an NMR shift in the range attributed to the aliphatic C–H (0–55.2 ppm) .…”

Section: Resultsmentioning

confidence: 99%

Lignite and Biomass Waste Hydrothermal Liquefaction Crude Upgrading by Hydrotreatment

et al. 2023

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Hydrothermal liquefaction (HTL) is a promising process for the energetic valorization of low-value feedstocks. However, HTL crude oils are incompatible with the existing fuel standards, making their upgrade imperative. Nonetheless, the hydrotreatment (HDT) of HTL crude oils is still a challenge due to the complex nature of the feedstock. Therefore, this work explores the relationship between the HTL crude oil origin and the HDT conversion. Five HTL crude oils from different feedstocks, namely, oak sawdust, Brewer’s Spent Grain (spent grain), sewage sludge from two origins, and lignite, and their detailed characterization by elemental analysis, 13C and 31P NMR, molecular weight distribution, comprehensive 2D gas chromatography, and SimDis were compared to those of the HDT liquid product. Lignite displayed the highest potential for producing hydrocarbons, particularly monoaromatics and naphthenes, among the feedstocks tested. The capacity of lignite HTL crude oil to be transformed into hydrocarbons was associated with the absence of compounds resistant to HDT in this feedstock. Similarly, oak sawdust also displayed higher selectivity toward aromatic and naphthene hydrocarbons due to the significant concentration of aromatic compounds in the crude oil. In opposition, the sewage sludge and spent-grain crude oils were particularly selective toward aliphatic hydrocarbons, particularly paraffins, produced from aliphatic components, such as amides, in the crude oil. However, these feedstocks were rich in nitrogenated aromatics, for example, carbazole, which are recalcitrant to hydrotreatment and were not fully converted during the reaction. The differences observed in the HDT liquid composition show that the HTL crude oil composition dictates the potential for producing hydrocarbon fuels. Indeed, HTL crude oils rich in aromatic compounds will yield preferentially naphthenes and aromatic hydrocarbons. In opposition, crude oils richer in aliphatic carbon will be more selective toward paraffins. The nature and concentration of heteroatom components must also be considered since these must be imperatively eliminated.

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Characterization of heteroatom-containing species in the soluble portion from the ethanolysis of the extraction residue from Xinghe lignite by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

Cited by 19 publications

References 51 publications

Analytical Strategies Involved in the Detailed Componential Characterization of Biooil Produced from Lignocellulosic Biomass

Analytical Strategies Involved in the Detailed Componential Characterization of Biooil Produced from Lignocellulosic Biomass

Structures of Aromatic Clusters of Different Coals Based on Benzene Carboxylic Acids from Coal via Oxidation

Lignite and Biomass Waste Hydrothermal Liquefaction Crude Upgrading by Hydrotreatment

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