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|Show fewer author(s)

Author Affiliations

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

show less

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

show less

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

Download full size | View in the Article

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)

Download full size | View in the Article

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

View in the Article

	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

View in the Article

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

View in the Article

	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

Download Citation

Save the article for my favorites

Paper Information

微信扫一扫：分享

微信扫一扫：分享