XRD Structural Analysis of Raw Material Used as Coal-Based Needle Coke in the Coking Process

Qing-jie FAN; Yan SONG; Shi-quan LAI; Li YUE; Ya-ming ZHU; Xue-fei ZHAO

doi:10.3964/j.issn.1000-0593(2022)06-1979-06

Journals >Spectroscopy and Spectral Analysis >Volume 42 >Issue 6 >Page 1979 > Article

Spectroscopy and Spectral Analysis
Vol. 42, Issue 6, 1979 (2022)

XRD Structural Analysis of Raw Material Used as Coal-Based Needle Coke in the Coking Process

Qing-jie FAN^*, Yan SONG, Shi-quan LAI^*;, Li YUE, Ya-ming ZHU, and Xue-fei ZHAO

Author Affiliations

School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051, China

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DOI: 10.3964/j.issn.1000-0593(2022)06-1979-06 Cite this Article

Qing-jie FAN, Yan SONG, Shi-quan LAI, Li YUE, Ya-ming ZHU, Xue-fei ZHAO. XRD Structural Analysis of Raw Material Used as Coal-Based Needle Coke in the Coking Process[J]. Spectroscopy and Spectral Analysis, 2022, 42(6): 1979 Copy Citation Text

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Fig. 1. XRD patterns of the SCTP and the samples obtained at heat-treatment temperatures up to 1 400 ℃

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The fitting results of XRD patterns for the SCTP and the samples processed at heat-treatment temperatures up to 1 400 ℃ (a, b, c) and the peak-fitting results of SCTP-1 400 ℃ (d)

Fig. 2. The fitting results of XRD patterns for the SCTP and the samples processed at heat-treatment temperatures up to 1 400 ℃ (a, b, c) and the peak-fitting results of SCTP-1 400 ℃ (d)

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Sample	SP^a /℃	TS^b /%	TI-QS^c /%	QI^d /%	CV^e /%	Ash^f /%
SCTP	33	88.17	11.09	0.74	37.3	0.09

Table 1. Basic properties of raw material SCTP

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	Parameter		Meaning
Intralayerstructure	La/Å		Average graphene layer size
	/Å		Average chord length
	ka		Polydispersity of chord lengthl
	kr		Polydispersity of the radius of the layers
	lcc/Å		Average C—C bond length
	σ1		Standard deviation of the first-neighbor distribution
Interlayerstructure		Lc/Å		Average stack size
		kc		Polydispersity of Lc
		a3/Å		Average interlayer spacing
		σ3		Standard deviation of interlayer spacing
		a3min/Å		Minimum of interlayer spacing
		Δa3		Difference between a3 and a3 min
		N		Average number of graphene layers per stack
		ε3		Disorder of graphene layers
		u3		Parameterof thermal motion
		η		Homogeneity of the stacks
		q		Parameterof preferred orientation
Impurities		cun		Concentration of unorganized carbon
		cN		Concentration of unorganized nitrogen
		cO		Concentration of unorganized oxygen

Table 2. Parameter symbols and meanings obtained by CarbX software

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Parameter	Bragg-Scherrer method	Peak-fitting method	CarbX method
L_a/Å	39.1	45.9	41.5
L_c/Å	16.2	22.2	16.6
d₀₀₂/Å	3.45	3.47	3.41
N	5.69	7.4	4.88

Table 3. Microcrystalline structural parameters obtained by three methods

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	Parameter	20 ℃	400 ℃	500 ℃	600 ℃	800 ℃	1 000 ℃	1 200 ℃	1 400 ℃
Intralayer structure	L_a/Å	10.3	12.6	14.5	13.8	15.7	21.3	30.4	47.9
	<l>/Å	6.9	8.4	9.7	9.2	11.8	17.1	24.3	38.3
	k_a	0.5	0.5	0.5	0.5	0.33	0.25	0.25	0.25
	k_r	0.39	0.39	0.39	0.39	0.23	0.16	0.16	0.16
	l_cc/Å	1.414	1.416	1.413	1.414	1.412	1.413	1.414	1.415
	σ₁	0.24	0.25	0.23	0.20	0.21	0.17	0.15	0.15
Interlayer structure	L_c/Å	9.4	13.7	31.1	18.4	16.9	15.4	16.7	17.3
	k_c	0.22	0.46	0.47	0.99	0.90	0.22	0.33	0.32
	a₃/Å	3.52	3.50	3.44	3.42	3.41	3.39	3.42	3.41
	σ₃	0.31	0.32	0.29	0.23	0.31	0.32	0.28	0.29
	a_{3 min}/Å	3.00	3.00	3.00	3.00	3.00	3.00	3.00	3.00
	Δa₃/Å	0.52	0.50	0.44	0.42	0.41	0.39	0.42	0.41
	N	2.66	3.91	9.05	5.39	4.96	4.55	4.87	5.06
	ε₃	0.17	0.17	0.15	0.14	0.14	0.13	0.14	0.14
	u₃	0	0	0	0	0	0	0	0
	η	0.73	0.70	0.63	0.81	0.91	0.95	0.95	0.95
	q	0.03	0.04	0.10	0.04	0.17	0.12	0.21	0.23
Impurities	c_un	0.15	0.18	0.17	0.12	0.16	0.32	0.34	0.31
	c_O	0	0	0	0	0	0	0	0
	c_N	0	0	0	0	0	0	0	0

Table 4. Microcrystalline structural parameters of the samples obtained by CarbX fitting

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