Spectroscopy and Spectral Analysis, Volume. 42, Issue 8, 2624(2022)

Molecular Representations of Jurassic-Aged Vitrinite-Rich and Inertinite-Rich Coals in Northern Shannxi Province by FTIR, XPS and 13C NMR

Huan-tong LI1、*, Zhi-rong ZHU1、1; 2;, Jun-wei QIAO1、1; 2;, Ning LI3、3;, Zheng YAO3、3;, and Wei HAN1、1; 2;
Author Affiliations
  • 11. College of Geology and Environment, Xi'an University of Science and Technology, Xi'an 710054, China
  • 33. Shaanxi Institute of Geological Survey, Xi'an 710054, China
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    Figures & Tables(10)
    FTIR spectra of different coalsamples
    Curve fiting of FTIR spectrum of typical coal samples for the selected zone 700~900, 1 000~1 800 and 2 800~3 000 cm-1(a)—(c): XV; (d)—(f): XI
    X-ray photoelectron spectrum of coal samples and curve fiting results of C(1s)(a): XPS C(1s) spectrum; (b): Relative content of carbon forms
    X-ray photoelectron spectrum of coal samples and curve fiting results of O(1s)(a): XPX O(1s) spectrum; (b): Relative content of Oxygen froms
    Curve fitting of 13C NMR spectra of vitrinite-rich (a) and inertinite-rich (b) coals
    • Table 1. Proximate analysis, ultimate analysis and petrographical analysis of coal samples

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      Table 1. Proximate analysis, ultimate analysis and petrographical analysis of coal samples

      煤样工业分析/%元素分析/%H/CO/C煤岩分析/%
      MadAdVdafFCadNdafCdafHdafSdafOdaf*VIEM
      XR3.683.4237.8557.821.1473.544.890.8119.620.800.2049.847.52.10.6
      XV4.172.0240.0956.251.1872.965.280.4920.090.870.2191.25.71.81.3
      XI3.194.2829.9564.920.9175.064.340.4519.240.690.196.590.52.30.7
      NV4.472.9839.3856.190.9771.745.240.5721.480.880.2289.77.61.11.6
      NI2.155.4529.5665.080.8177.674.210.5916.720.650.167.190.80.91.2
    • Table 2. Parameters ofFTIR quantitative analysis and their implications of coal samples

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      Table 2. Parameters ofFTIR quantitative analysis and their implications of coal samples

      类别参数计算公式
      芳香结构芳碳率fa-F=1-CalC
      芳香度I1=A3 100~3 000/A3 000~2 800
      I2=A900~700/A3 000~ 2800
      缩聚程度DOC=A900~700/A1 600
      脂肪结构支链化程度ν(CH2)/ν(CH3)=
      A2 920+2 850/A2 950+2 870
      生烃(油)潜力A'=A3 000~2 800/
      (A3 000~2 800+A1 600)
      含氧官能团成熟度C=A1 800~1 650/(A1 800~1 650+A1 600)
    • Table 3. FTIR peak decomposition results of the relative content of functional groups(%)

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      Table 3. FTIR peak decomposition results of the relative content of functional groups(%)

      煤样4H3H2HC=CC=OCH2CH3CH
      750 cm-1810 cm-1870 cm-11 600 cm-11 700 cm-12 922, 2 850 cm-12 955, 2 870 cm-13 040 cm-1
      XR26.9848.2823.6421.853.7156.5825.182.43
      XV17.5845.4236.1919.292.4154.2423.062.78
      XI30.7042.2626.2522.144.7552.8528.023.86
      NV20.5546.8826.7820.994.0062.9523.883.09
      NI43.9733.5420.6223.166.1355.4724.197.90
    • Table 4. FTIR structural parameters of coal sample

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      Table 4. FTIR structural parameters of coal sample

      煤样fa-FI1I2DOCν(CH2)/ν(CH3)‘A'‘C'
      XR0.700.110.500.132.250.210.09
      XV0.650.080.390.142.350.260.12
      XI0.780.190.730.151.880.170.13
      NV0.670.110.460.122.630.210.07
      NI0.800.190.840.212.300.200.17
    • Table 5. Experimental and model 13C NMR structural parameters of coal samples

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      Table 5. Experimental and model 13C NMR structural parameters of coal samples

      煤样fafacf'afaNfaHfaPfaSfaBfalfal*falHfalOXBP
      XV57.91%15.74%42.17%19.52%22.65%5.06%8.48%5.98%41.10%10.02%16.98%14.10%0.17
      XI66.02%17.94%48.08%24.69%23.39%5.27%7.95%11.47%33.98%7.84%12.82%13.32%0.33
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    Huan-tong LI, Zhi-rong ZHU, Jun-wei QIAO, Ning LI, Zheng YAO, Wei HAN. Molecular Representations of Jurassic-Aged Vitrinite-Rich and Inertinite-Rich Coals in Northern Shannxi Province by FTIR, XPS and 13C NMR[J]. Spectroscopy and Spectral Analysis, 2022, 42(8): 2624

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    Paper Information

    Category: Orginal Article

    Received: Jul. 5, 2021

    Accepted: --

    Published Online: Mar. 17, 2025

    The Author Email: Huan-tong LI (1ht@xust.edu.cn)

    DOI:10.3964/j.issn.1000-0593(2022)08-2624-07

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