Molecular characterization of heteroatomic compounds in a high-temperature coal tar using three mass spectrometers

Zhu, Jiliang; Fan, Xing; Wei, Xian‐Yong; Wang, Shou-Ze; Zhu, Tenggao; Zhou, Changchun; Zhao, Yun‐Peng; Wang, Rui-yu; Lu, Yao; Chen, Lu; You, Chun-Yan

doi:10.1016/j.fuproc.2015.04.020

Cited by 59 publications

(20 citation statements)

References 42 publications

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“…The absorbance between 800 and 600 cm −1 attributed to C-Cl stretching vibration absorption [15]. The appearance of C-Cl bonds at 769 cm −1 in ASC indicates that the reaction of SbCl 5 with the AC was carried out during the process of ASC preparation [16, 17]. The pore volume, average pore diameter, and surface area of AC were 0.53 cm 3 /g, 2.85 nm, and 743 m 2 /g, respectively.…”

Section: Resultsmentioning

confidence: 99%

Chemical Compositional Analysis of Catalytic Hydroconversion Products of Heishan Coal Liquefaction Residue

Yue

Zhang

et al. 2017

International Journal of Analytical Chemistry

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Liquefaction residue of Heishan bituminous coal (HLR) was subject to two hydroconversion reactions under 5 MPa initial pressure of hydrogen at 300°C for 3 h, without catalyst and with acid supported catalyst (ASC), respectively. The reaction products were analyzed with gas chromatography/mass spectrometer (GC/MS). The results show that 222 organic compounds were detected totally in the products and they can be divided into alkanes, aromatic hydrocarbons (AHCs), phenols, ketones, ethers, and other species (OSs). The yield of hydroconversion over the ASC is much higher than that without catalyst. The most abundant products are aromatic hydrocarbons in the reaction products from both catalytic and noncatalytic reactions of HLR. The yield of aromatic hydrocarbons in the reaction product from hydroconversion with the ACS is considerably higher than that from hydroconversion without a catalyst.

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Section: Resultsmentioning

confidence: 99%

Chemical Compositional Analysis of Catalytic Hydroconversion Products of Heishan Coal Liquefaction Residue

Yue

Zhang

et al. 2017

International Journal of Analytical Chemistry

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“…Analyzes carried out with MALDI showed that liquefaction extracts were similar among them, with a little increase in MM with the elevation of the carbon content; however, coal tar contained a higher MM distribution. SEC has been and electrospray ionization (ESI)-Orbitrap MS for the characterization of a petroleum ether (designated as PE-HTCT) of a high-temperature coal tar (HTCT) [66]. GC/MS detected hydrocarbons and molecules with low molecular weight and polarity, while mid-polarity compounds were investigated by PE-HTCT, without any sample pretreatment, through a rapid in-situ ASAP-TOFMS analysis.…”

Section: Characterization Of Coal Tarmentioning

confidence: 99%

“…Gas chromatography with mass spectrometric detection (GC/MS) is commonly employed for the analysis of volatile fractions of liquids derived from coal [65,66,[78][79][80][81][82] including also the use of an analytical pyrolyzer as injector [83]. However, other detectors are also employed, such as flame ionization detector (FID) [84][85][86] and atomic emission detector (AED) [87].…”

Section: Characterization Of Coal Tarmentioning

confidence: 99%

Comprehensive Two-Dimensional Gas Chromatography and Its Application to the Investigation of Pyrolytic Liquids

Maciel¹,

Silva²,

Bispo³

et al. 2017

Pyrolysis

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The chapter presents basic principles of one-dimensional gas chromatography (1D-GC) and comprehensive two-dimensional gas chromatography (GC × GC) related to the main advantages of the two-dimensional technique, as well as its application to the study of organic compounds in liquids derived from coal, mainly through pyrolysis and extraction. It also shows the investigation of compounds contained in bio-oils obtained from biomass through pyrolysis, using GC × GC. Advances in scientific knowledge related to the composition of these complex matrices are shown through different examples of GC × GC analyses, such as the identification of trace compounds that would not be perceived by 1D-GC, organized patterns of elution of structurally related compounds that help their identification, etc. Examples shown make it clear that GC × GC is the technique of choice to elucidate composition of these complex matrices.

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“…There are obvious differences in the molecular compositions between HTCT and LTCT due to their different formation conditions. In general, according to GC/MS analysis, HTCT is usually rich in a variety of condensed arenes with 1–4 rings, especially naphthalene, phenanthrene, fluoranthene, and fluorine, whereas n ‐alkanes (C 5 –C 30 ) and phenols (especially alkyl phenols) are predominant components in LTCT with a small amount of arenes, alkenes, and other oxygen‐containing chemicals (OCCs) (Sun et al, ; Pan et al, ; Qi et al, ; Zhu et al, ). LTCT usually contains 1–4 ring arenes with or without side alkyl groups, but these arenes usually dominated by benzene and its alkylated homologous series (Pan et al, ; Qi et al, ).…”

Section: Small‐molecular Chemicals In Cdls Identified By Gc/msmentioning

confidence: 99%

Application of mass spectrometry in the characterization of chemicals in coal‐derived liquids

Liu

Fan

Wei

et al. 2016

Mass Spectrometry Reviews

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Coal-derived liquids (CDLs) are primarily generated from pyrolysis, carbonization, gasification, direct liquefaction, low-temperature extraction, thermal dissolution, and mild oxidation. CDLs are important feedstocks for producing value-added chemicals and clean liquid fuels as well as high performance carbon materials. Accordingly, the compositional characterization of chemicals in CDLs at the molecular level with advanced analytical techniques is significant for the efficient utilization of CDLs. Although reviews on advancements have been rarely reported, great progress has been achieved in this area by using gas chromatography/mass spectrometry (GC/MS), two-dimensional GC-time of flight mass spectrometry (GC × GC-TOFMS), and Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). This review focuses on characterizing hydrocarbon, oxygen-containing, nitrogen-containing, sulfur-containing, and halogen-containing chemicals in various CDLs with these three mass spectrometry techniques. Small molecular (< 500 u), volatile and semi-volatile, and less polar chemicals in CDLs have been identified with GC/MS and GC × GC-TOFMS. By equipped with two-dimensional GC, GC × GC-TOFMS can achieve a clearly chromatographic separation of complex chemicals in CDLs without prior fractionation, and thus can overcome the disadvantages of co-elution and serious peak overlap in GC/MS analysis, providing much more compositional information. With ultrahigh resolving power and mass accuracy, FT-ICR MS reveals a huge number of compositionally distinct compounds assigned to various chemical classes in CDLs. It shows excellent performance in resolving and characterizing higher-molecular, less volatile, and polar chemicals that cannot be detected by GC/MS and GC × GC-TOFMS. The application of GC × GC-TOFMS and FT-ICR MS to chemical characterization of CDLs is not as prevalent as that of petroleum and largely remains to be developed in many respects. © 2016 Wiley Periodicals, Inc. Mass Spec Rev 36:543-579, 2017.

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Molecular characterization of heteroatomic compounds in a high-temperature coal tar using three mass spectrometers

Cited by 59 publications

References 42 publications

Chemical Compositional Analysis of Catalytic Hydroconversion Products of Heishan Coal Liquefaction Residue

Chemical Compositional Analysis of Catalytic Hydroconversion Products of Heishan Coal Liquefaction Residue

Comprehensive Two-Dimensional Gas Chromatography and Its Application to the Investigation of Pyrolytic Liquids

Application of mass spectrometry in the characterization of chemicals in coal‐derived liquids

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