低中煤级煤结构演化的XRD表征

李霞; 曾凡桂; 王威; 董夔

低中煤级煤结构演化的XRD表征

太原理工大学煤科学与技术教育部及山西省重点实验室煤与煤系气地质山西省重点实验室地球科学与工程系, 山西太原 030024

基金项目:

国家自然科学基金 41302127

NSFC-山西煤基低碳联合基金 U1510102

山西省煤基重点科技攻关项目 MQ2014-01

详细信息

通讯作者:
曾凡桂, Tel: 0351-6010468, E-mail: zengfangui@tyut.edu.cn

中图分类号: TQ531
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出版历程
- 收稿日期: 2016-01-21
- 修回日期: 2016-03-16
- 网络出版日期: 2021-01-23
- 刊出日期: 2016-07-10

XRD characterization of structural evolution in low-middle rank coals

Key Laboratory of Coal Science & Technology, Ministry of Education & Shanxi Province, Shanxi Key Laboratory of Coal and Coal Measure Gas Geolology, Department of Earth Science & Engineering, Taiyuan University of Technology, Taiyuan 030024, China

Funds:

The project was supported by National Natural Science Foundation of China 41302127

the Joint Funds of the Coal Based and Low Carbon of Shanxi U1510102

Shanxi Province Coal Based Key Scientific and Technological Projects MQ2014-01

More Information

Corresponding author: ZENG Fan-gui, Tel: 0351-6010468, E-mail: zengfangui@tyut.edu.cn

摘要

摘要: 通过对28个最大镜质组反射率0.30%-2.05%镜煤样品的X射线衍射(XRD) 分析, 获得XRD结构参数, 得到这些参数随反射率增大呈现的阶段性规律。在镜质组反射率小于1.0%阶段, L_a和L_c急剧增加, d₀₀₂迅速减小, 含氧官能团的脱落和脂肪长度支链化程度减小占主导; 在1.0%-1.6%阶段, L_a持续增加, d₀₀₂先增加后减小, L_c先减小然后趋于平稳, 芳香体系脱氢和调整空间位阻同时进行; 在1.6%-2.0%阶段, d₀₀₂持续减小, L_c和L_a的增大, 煤结构演化以芳构化为主。XRD结构参数演化与第一、二次煤化作用跃变关系密切。
- 低中煤级煤 /
- XRD /
- 结构演化
Abstract: The structural parameters including L_a, L_c and d₀₀₂ of 28 coal samples with the maximum vitrinite reflectance R_{o, max} varying from 0.30% to 2.05% were analyzed using X-ray diffraction (XRD). The change in the XRD parameters associated with increasing vitrinite reflectance was obtained. The results indicate that, for the test coals with R_{o, max} less than 1.0%, the values of L_a and L_c sharply increase while d₀₀₂ shows a reverse trend, and the decrease of oxygen-containing functional group and the length of branching aliphatic side chains are dominated. For those with R_{o, max} from 1.0% to 1.6%, the value of L_a continuously increases, d₀₀₂ increases first and then decreases, and L_c decreases first and then remains steady. Moreover, dehydrogenation and adjusting the space steric hindrance are simultaneous. The value of d₀₀₂ continues to decrease while L_a and L_c increases, and the variation of coal structure is dominated by aromatization process during the R_{o, max} range of 1.6% to 2.0%. The variation of XRD parameters presents close relation with the first and the second coalification jump phase.
- low-middle rank coals /
- X-ray diffraction /
- structural evolution

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图 1 样品的X-射线衍射谱图

Figure 1 XRD spectra of coal samples

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图 2 DP-4的002分峰拟合谱图

Figure 2 Curve-fitting 002 spectrum of DP-4

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图 3 R_o与L_c、d₀₀₂ (a) 和L_a (b) 的关系

Figure 3 Relation of L_c, d₀₀₂ (a) and L_a (b) with R_o

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图 4 L_a与L_c、d₀₀₂的关系

Figure 4 Relation of L_c and d₀₀₂ with L_a

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表 1 样品的化学和光学参数

Table 1 Chemical and optical parameters for studied samples

Sample	Proximate analysis w/%			R_o/%	Ultimate analysis w_daf/%
Sample	M_ad	A_ad	V_daf	R_o/%	C	H	O^*	N	S
YM-16	14.22	4.27	45.17	0.30	75.01	3.84	19.63	1.21	0.31
DYS	18.99	10.89	58.03	0.37	68.74	3.76	25.61	1.48	0.57
WMC	5.14	16.15	42.12	0.46	77.79	4.47	16.02	1.13	0.43
DP-4	1.50	14.27	40.35	0.57	77.89	4.39	13.51	1.16	2.86
YJ-9	2.59	8.97	30.91	0.68	82.10	4.43	9.94	1.24	2.19
LN-2	0.73	3.65	38.12	0.70	83.46	4.08	10.47	1.23	0.73
TB-10	0.45	5.15	39.30	0.84	83.50	4.45	8.09	1.21	2.69
HPD-11	0.78	10.72	36.28	0.87	81.22	4.31	12.5	1.19	0.66
JJZ-2	0.75	22.33	37.09	0.94	81.23	4.71	12.09	0.95	0.75
ZW-5	0.79	16.11	36.27	0.95	78.69	4.49	13.02	1.08	2.53
CC-2	0.59	8.56	34.46	0.99	81.51	4.28	12.44	1.13	0.54
XZ-10	0.53	15.39	27.21	1.02	86.76	4.01	7.59	1.02	0.44
JJZ-5	0.48	18.86	27.98	1.07	82.83	4.57	9.21	0.95	2.22
LYZ-2	0.56	5.02	28.11	1.07	86.35	4.01	7.95	1.10	0.53
CC-10	0.68	10.31	29.15	1.16	84.86	4.09	9.20	1.15	0.70
LYK-8	0.49	10.91	23.62	1.17	86.64	4.03	6.64	1.15	1.41
ML-8	0.48	9.00	27.96	1.21	86.32	4.04	6.76	1.11	1.66
ML-2	0.45	7.90	28.11	1.24	85.46	4.02	7.59	1.10	1.75
LL-4	0.49	6.21	26.29	1.29	83.46	4.03	10.75	1.09	0.60
LL-3	1.00	4.60	25.49	1.29	88.18	3.99	6.11	1.15	0.52
TL-2	0.39	6.70	24.01	1.45	87.17	3.94	7.07	1.10	0.65
TL-8	0.45	7.46	21.36	1.47	86.09	3.91	6.12	1.08	2.71
XM-2	0.61	9.52	17.25	1.72	89.80	3.88	4.58	1.05	0.58
DEP-2	0.62	8.56	17.04	1.74	90.13	4.56	3.32	1.44	0.46
XM-3	0.70	8.18	15.18	1.84	90.43	3.73	3.95	1.08	0.72
XM-8	0.96	6.52	15.13	1.84	88.10	3.83	4.76	1.12	2.13
DEP-3	0.53	14.36	16.67	2.00	89.50	3.94	4.37	1.03	1.00
DEP-8	0.57	2.37	12.22	2.05	88.41	3.49	5.22	1.15	1.70
^* : by difference

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表 2 XRD结构参数

Table 2 XRD structural parameters for studied samples

Sample	R_o/%	d₀₀₂/nm	L_c/nm	L_a/ nm	N(layers)
YM	0.30	0.393 5	0.983 4	0.937 7	3.50
DYS	0.37	0.392 8	1.063 6	0.903 3	3.71
WMC	0.46	0.392 8	1.149 7	1.025 3	3.93
DP-4	0.57	0.373 2	1.238 6	1.011 9	4.32
YJ-9	0.68	0.376 8	1.433 9	1.009 5	4.81
LN-2	0.70	0.370 1	1.570 5	1.014 5	5.24
TB-10	0.84	0.354 2	1.582 1	1.158 6	5.47
HPD-11	0.87	0.358 6	1.624 5	1.157 0	5.53
JJZ-2	0.94	0.357 4	1.685 9	1.137 0	5.72
ZW-5	0.95	0.356 7	1.653 4	1.145 5	5.64
CC-2	0.99	0.352 3	1.646 7	1.191 1	5.67
XZ-10	1.02	0.350 3	1.725 7	1.224 5	5.93
JJZ-5	1.07	0.355 4	1.733 8	1.279 7	5.88
LYZ-2	1.07	0.349 6	1.813 7	1.305 0	6.19
CC-10	1.16	0.353 9	1.794 4	1.323 9	6.07
LYK-8	1.17	0.352 1	1.755 8	1.319 6	5.99
ML-8	1.21	0.354 6	1.749 1	1.232 4	5.93
ML-2	1.24	0.363	1.695 8	1.250 6	5.67
LL-4	1.29	0.356 7	1.738 6	1.304 1	5.87
LL-3	1.29	0.357 4	1.744 6	1.374 1	5.88
TL-2	1.45	0.352 3	1.712 2	1.375 3	5.86
TL-8	1.47	0.354 1	1.761 9	1.317 5	5.98
XM-2	1.72	0.353 1	1.998 4	1.361 4	6.66
DEP-2	1.74	0.347 6	1.918 4	1.420 7	6.52
XM-3	1.84	0.349 5	1.952 1	1.419 1	6.59
XM-8	1.84	0.347 3	1.941 2	1.515 5	6.59
DEP-3	2.00	0.349 5	1.931 8	1.527 0	6.53
DEP-8	2.05	0.344 6	2.132 9	1.579 0	7.19
note: N=L_c/d₀₀₂+1

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