Structural Characterization of Typical Organic Species in Jincheng No. 15 Anthracite

Wang, Qianqian; Wei, Xian‐Yong; Xie, Ruilun; Liu, Fang-Jing; Li, Peng; Zong, Zhi‐Min

doi:10.1021/ef502373p

Cited by 55 publications

(32 citation statements)

References 56 publications

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“…Table presents the chemical shifts of different carbon‐bearing functional groups in Wangqing oil shale. According to the results presented in Table and those reported in some previous studies, the 13 C‐NMR spectral curves of the samples were fitted to determine the relative proportions of different types of carbons in Wangqing oil shale. The fitting results are shown in Figure .…”

Section: Resultsmentioning

confidence: 99%

Structure of Wangqing oil shale and mechanism of carbon monoxide release during its pyrolysis

Wang

Hua

Guan

2019

Energy Science & Engineering

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In this work, the structural characteristics of Wangqing oil shale were investigated using 13C nuclear magnetic resonance spectroscopy (NMR) and Fourier‐transform infrared spectroscopy (FTIR) techniques. The thermogravimetric‐Fourier‐transform infrared spectroscopy (TG‐FTIR) was used to pyrolyze samples and study their kinetics at four different heating rates. Meanwhile, the peak fitting method was used to study the carbon monoxide (CO) produced during the pyrolysis process. The results indicated that the oil shale was mainly composed of aromatic, aliphatic, hydroxyl, and oxygen‐containing functional groups, among which the aliphatic group was the most abundant. The pyrolysis process of oil shale was divided into four stages, whereas the pyrolysis weight loss and volatilization were concentrated in the second stage. When the number of peaks was 4, the fitting results were the best, which indicated that the precipitation of CO gas was affected by the four different types of reactions and was mainly the result of oxygen group and its side chain fracture.

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Section: Resultsmentioning

confidence: 99%

Structure of Wangqing oil shale and mechanism of carbon monoxide release during its pyrolysis

Wang

Hua

Guan

2019

Energy Science & Engineering

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“…H 2 O 2 only shows high reactivity towards low‐rank coals and short‐chain ADAs like malonic acid and succinic acid are usually the major carboxylic acids resulting from oxidation in H 2 O 2 aqueous solution (Pan et al, ; Doskočil et al, ; Liu et al, ). The products from RICO and oxidation in NaOCl aqueous solution of coals contain a large amount of BPCAs, especially in the cases of bituminous coal and anthracite (Murata et al, ; Huang et al, ; Yao et al, ; Wang et al, , ). BPCAs can be likewise produced from oxidation in H 2 O 2 aqueous solution of low‐rank coals but usually with low yield (Liu et al, , ).…”

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

confidence: 99%

“…BPCAs are value‐added chemicals or intermediates for industrial use and were supposed to be generated from condensed aromatics species in coals via oxidation (Murata et al, ; Huang et al, ; Yao et al, ; Lv et al, ). Oxidation of high‐rank coals (e.g., anthracite) combined with appropriate separation techniques is a promising approach to produce BPCAs with high yield and high selectivity (Wang et al, , ).…”

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

confidence: 99%

“…The methylation and oxidation derived SCCs can be efficiently ionized by positive‐ion ESI technique and thereby are easily characterized by FT‐ICR MS. These chemical derivatization techniques can be likewise used for characterizing SCCs in CDLs in combination with positive‐ion ESI FT‐ICR MS. Wang et al () revealed the S 1 O o (o = 1–4) class species with DBE>6 in RICO product from an anthracite by positive‐ion ESI FT‐ICR MS and sulfur occurs in the forms of arylthiophene sulfoxides or arylthiophene sulfones, suggesting the existence of S ‐heterocyclic aromatic structures in anthracite.…”

Section: Class Chemicals Revealed By Ft‐icr Ms In Cdlsmentioning

confidence: 99%

“…The molecular structures of these carboxylic acids can be determined by GC/MS after esterification with different methods (Murata et al, 2001;Yao et al, 2010;Pan et al, 2013;Lv et al, 2014;Liu et al, 2015b). Coal mild oxidation mainly includes ruthenium ion-catalyzed oxidation (RICO) (Stock & Wang, 1985, 1986Murata et al, 1994Murata et al, , 2001Artok et al, 1998;Kidena et al, 2004;Huang et al, 2008;Yao et al, 2010;Liu et al, 2013b;Wang et al, 2013cWang et al, , 2015bLv et al, 2014), oxidation in H 2 O 2 aqueous solution (Miura et al, 1996;Mae, Shindo, & Miura, 2001;Liu et al, 2013bLiu et al, , 2015bPan et al, 2013;Dosko cil et al, 2014;Tahmasebi et al, 2015), and oxidation in NaOCl aqueous solution (Yao et al, 2010;Liu et al, 2013b,c;Wang et al, 2014b), according to different oxidants.…”

Section: B Hydrocarbons and Oxygen-containing Chemicalsmentioning

confidence: 99%

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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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Correction of sideband effects of nuclear magnetic resonance carbon spectrum in coal and its application in coal structure analysis

Chang

Zhou

Deng³

et al. 2023

Energy Science & Engineering

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In the nuclear magnetic resonance (NMR) test of coal, when the spinning frequency of magic‐angle spinning (MAS) is less than the frequency range of chemical shift anisotropy, serious aromatic carbon spinning sidebands will appear. Existing solutions to the sideband effect, such as changing the MAS frequency, inserting total suppression of sidebands (TOSS) pulse sequences, or simply defining the peak after chemical shift of 200 ppm as the sideband peaks generated by aromatic carbon peak, multipling the identified sideband integral by 2 and adding to the main peaks of protonated aromatic carbon and aromatic bridgehead carbon. None of these methods can reasonably correct for the sideband effect and cause errors to accurately quantifying the carbon structure parameters. Compared with 13C nuclear magnetic resonance (13C NMR) spectrum without sideband suppression (13C CP‐MAS NMR) and 13C NMR spectrum under sideband suppression conditions (13C CP‐MAS/TOSS NMR), according to the chemical shifts of the main peaks of four aromatic carbons, namely protonated aromatic carbon, aromatic bridgehead carbon, alkylated aromatic carbon and oxygen‐linked aromatic carbon, combined with the MAS frequency, the first‐ and second‐level sideband peaks generated by four types of aromatic carbons were accurately located and quantified, and they were added to the corresponding aromatic carbon main peaks in 13C CP‐MAS/TOSS NMR spectrum, thus realizing the accurate correction of sideband effect of the solid‐state 13C NMR spectrum of coal samples. The relative area of corrected aliphatic carbon, carbonyl (carboxyl) carbon, and various aromatic carbons were recalculated, and more accurate carbon structure parameters were obtained, which is significant for studying the coal structure from a microscopic perspective.

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Structural Characterization of Typical Organic Species in Jincheng No. 15 Anthracite

Cited by 55 publications

References 56 publications

Structure of Wangqing oil shale and mechanism of carbon monoxide release during its pyrolysis

Structure of Wangqing oil shale and mechanism of carbon monoxide release during its pyrolysis

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

Correction of sideband effects of nuclear magnetic resonance carbon spectrum in coal and its application in coal structure analysis

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