Spectroscopy and Spectral Analysis, Volume. 41, Issue 7, 2050(2021)
Investigation of Different Structures of Coals Through FTIR and Raman Techniques
Figures & Tables(12)
Fig. 1. The infrared spectra of the coal marked at the main peak position after baseline correction
(a): 2 000~400 cm-1; (b): 3 600~2 500 cm-1
Fig. 2. Relationship between H/C ratio and parameters obtained from FTIR calculation
(a): Apparent aromaticity
Fig. 3. Curve-fitted FTIR spectra of the aliphatic C—H stretching vibrational band in range of 3 000 to 2 800 cm-1
Fig. 5. Curve-fitted FTIR spectra of the aliphatic C—H stretching vibrational band in range of 900 to 730 cm-1
Fig. 6. Spectral decomposition results of coal samples with 10 bands method
Fig. 7. Relationship between H/C atomic ratios and parameters obtained from Raman spectra
(a): Area ratio of each peak and H/C atomic ratio; (b): Different peak area ratio and H/C atomic ratio; (c): Main peak FWHM and H/C atomic ratio
Fig. 8. Simple coal structure model using Raman and infrared analysis
Table 1. Proximate and ultimate analysis of different samples
View tableView in ArticleTable 1. Proximate and ultimate analysis of different samples
样品 HY HJ BL DJ HK 工业分析
/Wt%Ad 6.08 10.34 5.74 11.12 7.17 Vd 33.74 31.25 33.85 33.08 34.79 FCd 60.18 58.41 60.41 55.80 58.05 元素分析
/Wt%Cd 70.68 67.28 73.79 66.93 66.05 Hd 4.50 4.02 4.46 3.79 4.32 Od 17.48 17.16 14.89 16.73 20.77 Nd 0.80 0.71 0.84 0.73 0.70 Sd 0.46 0.49 0.28 0.70 0.99 H/C原子比 0.76 0.72 0.73 0.68 0.78 O/C原子比 0.19 0.19 0.15 0.19 0.24
Table 2. Band assignments for different functional groups in FTIR spectra
View tableView in ArticleTable 2. Band assignments for different functional groups in FTIR spectra
序号 位置/cm-1 官能团 1 3 419~3 359 O—H或N—H伸缩振动 2 3 080~3 035 芳香环C—H伸缩振动 3 2 975~2 955 脂肪族CH3反对称伸缩振动 4 2 925~2 919 脂肪族CH2反对称伸缩振动 5 2 900 脂肪族C—H反对称伸缩振动 6 2 863 脂肪族CH3对称伸缩振动 7 2 848 脂肪族CH2对称伸缩振动 8 1 745~1 730 脂肪族(油脂, 酸, 酮, 醛)(C=O) 9 1 721~1 695 芳香族(羟基, 羧基) 10 1 615~1 585 芳香环(C=C) 11 1 500~1 450 (C—C)ar伸缩 12 1 460~1 450 脂肪链(CH3, CH2) 13 1 380 对称(—CH2—)弯曲变形 14 1 300~1 000 酚醛(C—O—C)伸缩变形 15 900~700 芳香键; (C—H)ar面外弯曲振动 16 880~860 芳香环(CH), 相邻单H变形 17 849 芳香环(CH), 相邻双H变形 18 776~730 芳香环(CH), 相邻多H变形 19 730~720 烷烃侧环[(CH2)n, n>4]
Table 3. Assignment of bands for Raman spectra (1 800~800 cm-1) of coals
View tableView in ArticleTable 3. Assignment of bands for Raman spectra (1 800~800 cm-1) of coals
名称 位置/cm-1 官能团 键型 GL 1 690 羰基(C=O) sp2 G 1 597 芳香环象限呼吸; 烯烃(C=C) sp2 GR ~1 540 sp2 VL 1 500 3~5芳香环; 芳香环半圆形呼吸; 无定形碳结构 sp2, sp3 VR 1 420 sp2, sp3 D 1 372 芳烃(≥6个稠化苯环, 少于石墨) sp2 SL 1 269 烷基芳醚; 对位芳烃 sp2, sp3 S ~1 185 Caromatic—Calky; 芳香脂肪族醚; 氢化芳香族环上的C—C; 六角金刚石碳sp3; 芳香环上的C—H sp2, sp3 SR 1 109 芳香环上的C—H; 正交化二基取代苯环 sp2 R ~930 烷烃和环烷烃上的C—C; 芳香环上的C—H sp2, sp3
Table 4. Structure parameters from FTIR calculation
View tableView in ArticleTable 4. Structure parameters from FTIR calculation
样品 Hal/H fa(FTIR) (R/C)u CH2/CH3 Aar/Aal HY 0.76 0.68 0.28 1.92 0.30 HJ 0.77 0.70 0.29 1.54 0.29 BL 0.66 0.73 0.27 1.71 0.47 DJ 0.73 0.72 0.30 1.12 0.33 HK 0.72 0.69 0.26 1.84 0.35
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Chun-mei YU, Nan ZHANG, Hai-peng TENG. Investigation of Different Structures of Coals Through FTIR and Raman Techniques[J]. Spectroscopy and Spectral Analysis, 2021, 41(7): 2050
Paper Information
Category: Research Articles
Received: Jul. 17, 2020
Accepted: --
Published Online: Sep. 8, 2021
The Author Email: YU Chun-mei (g20188272@xs.ustb.edu.cn)
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