Effect of Sequential Solvent Treatment on the Macromolecular Structure of Organic Matter in Zichang Coal

Gui-xiong ZHANG; Xiao-xia YANG; Kai LIU; Feng FU

doi:10.3964/j.issn.1000-0593(2021)09-2934-06

Journals >Spectroscopy and Spectral Analysis >Volume 41 >Issue 9 >Page 2934 > Article

Spectroscopy and Spectral Analysis
Vol. 41, Issue 9, 2934 (2021)

Effect of Sequential Solvent Treatment on the Macromolecular Structure of Organic Matter in Zichang Coal

Gui-xiong ZHANG^*, Xiao-xia YANG^*;, Kai LIU, and Feng FU^*;

Author Affiliations

Shaanxi Key Laboratory of Chemical Reaction Engineering, YannengYanda Comprehensive Energy Industry Technology Research Institute, Yan'an University, Yan'an 716000, China

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DOI: 10.3964/j.issn.1000-0593(2021)09-2934-06 Cite this Article

Gui-xiong ZHANG, Xiao-xia YANG, Kai LIU, Feng FU. Effect of Sequential Solvent Treatment on the Macromolecular Structure of Organic Matter in Zichang Coal[J]. Spectroscopy and Spectral Analysis, 2021, 41(9): 2934 Copy Citation Text

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13C NMR spectra and their fitting curves of samples(a): HSC; (b): ER; (c): TER; (d): CTER

Fig. 1. ¹³C NMR spectra and their fitting curves of samples
(a): HSC; (b): ER; (c): TER; (d): CTER

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Fig. 2. XPS wide spectrum and C(1s) fitting curve of samples
(a): XPS survey; (b): Deconvolution curves of C(1s)

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Fig. 3. TG/DTG curves (a) and DTG fitting curves (b) of samples

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序号	符号	化学位移/ppm	摩尔分数/%				碳类型
序号	符号	化学位移/ppm	HSC	ER	TER	CTER	碳类型
1		13.1	6.88	4.05	6.46	6.18	—CH3
2		20.8	6.73	7.51	4.45	5.27	CH3Ar
3		29.7	10.3	9.37	4.50	4.81	—CH2—
4		38	5.02	6.22	3.49	3.10	HC
5		42.1	1.17	0.34	0.06	1.70	C
6~7		48~60	2.461.23	5.170. 50	1.231.89	0.361.05	—CH2—O—
8		64.0	0.11	0.50	0.81	0.65
9		73.1	1.72	1.79	2.01	2.57
10		105.6	7.24	7.94	8.87	9.04
11		115.9	6.79	7.17	6.82	7.91
12		124.4	18.81	20.07	26.59	24.89
13		131.9	15.32	10.81	17.3	17.1
14		138.8	5.25	7.87	5.66	9.31
15		151.3	9.41	9.26	7.82	4.28
16		175.7	1.57	1.43	2.07	1.78	—COOH/R

Table 1. Chemical shift values and molar percent of different carbons in samples

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结构参数(符号)	定义	数值
结构参数(符号)	定义	HSC	ER	TER	CTER
脂肪碳比例(f_al)	f_al= $f_{al}^{1}$ + $f_{al}^{2}$ + $f_{al}^{3}$ + $f_{al}^{a}$ + $f_{al}^{4}$ + $f_{al}^{O 1}$ + $f_{al}^{O 2}$ + $f_{al}^{O 3}$	35.61%	35.44%	24.89%	25≸69%
芳碳比例(f_a)	f_a= $f_{a}^{O 1}$ + $f_{a}^{O 2}$ + $f_{a}^{H}$ + $f_{a}^{C — C}$ + $f_{a}^{O 3}$ + $f_{a}^{S}$	62.82%	63.12%	73.05%	72.53%
羰基碳比例( $f_{a}^{C}$ )	$f_{a}^{C}$	1.57%	1.43%	2.06%	1.77%
桥碳摩尔比(χ_b)	χ_b= $f_{a}^{C — C}$ /f_a	0.24	0.17	0.24	0.24
平均亚甲基链长(C_n)	C_n= $f_{al}^{2}$ / $f_{a}^{s}$	1.96	1.19	0.80	0.52
芳环取代度(δ)	δ=( $f_{a}^{O 1}$ + $f_{a}^{O 2}$ + $f_{a}^{O 3}$ + $f_{a}^{S}$ )/f_a	0.46	0.51	0.40	0.42

Table 2. Carbon structural parameters in samples

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元素峰		相对含量/%
元素峰		HSC	ER	TRE	CTER
S(2p)		0.34	0.70	0.78	0.51
C(1s)		86.68	84.53	85.62	86.99
N(1s)		1.75	1.93	2.69	2.42
O(1s)		11.21	12.85	10.91	10.07
C(1s)赋存形态
结合能/eV	赋存形态
284.7	C—C	63.44	67.41	73.14	76.96
285.3	C—H	23.54	17.69	14.13	11.19
286.3	C—O	7.74	9.07	7.94	7.62
287.5	C=O	3.15	3.40	2.83	2.59
288.9	COO	2.13	2.43	1.96	1.64

Table 3. XPS Results for samples and their deconvolution results of C(1s) peaks

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