Evolution Mechanism of Macromolecular Structure in Coal during Heat Treatment: Based on FTIR and XRD In Situ Analysis Techniques

Table 3

Statistic results of the XRD parameters of five coal samples before and after pyrolysis.

Sample number	Temperature (°C)	▲ (°)		▼ (nm)
		2θ002	2θ100	d002	Lc	La
GZ	Raw coal	26.15	46.16	0.3498	1.9841	3.0507
	25°C	26.17	44.64	0.3496	1.9848	2.9172
	100°C	26.26	45.93	0.3485	1.9842	3.0073
	200°C	26.21	45.09	0.3491	1.9842	2.9479
	300°C	26.27	45.28	0.3483	1.9842	2.9611
	400°C	26.26	44.38	0.3485	1.9837	2.8998
	500°C	26.24	44.14	0.3487	1.9833	2.8839
	600°C	26.35	44.61	0.3474	1.9868	2.9152
	700°C	26.40	45.30	0.3468	1.9876	2.9625
	800°C	26.54	45.02	0.3451	1.9897	2.9431
	900°C	26.59	45.51	0.3444	1.9901	2.9773
HB	Raw coal	25.99	45.38	0.3518	1.8797	2.9681
	25°C	26.04	45.26	0.3512	1.8801	2.9598
	100°C	26.00	45.53	0.3516	1.8796	2.9787
	200°C	26.00	45.25	0.3516	1.8792	2.9591
	300°C	26.00	45.26	0.3517	1.8805	2.9598
	400°C	25.96	45.16	0.3521	1.8781	2.9528
	500°C	25.93	45.60	0.3525	1.8793	2.9837
	600°C	26.19	45.53	0.3493	1.8826	2.9787
	700°C	26.25	44.98	0.3486	1.8828	2.9404
	800°C	26.40	45.12	0.3468	1.8866	2.9500
	900°C	26.43	44.96	0.3464	1.8868	2.9390
HN	Raw coal	25.66	45.72	0.3561	1.6786	2.9922
	25°C	25.69	45.87	0.3557	1.6796	3.0030
	100°C	25.65	45.66	0.3562	1.6786	2.9879
	200°C	25.61	45.76	0.3567	1.6772	2.9951
	300°C	25.72	45.01	0.3553	1.6781	2.9424
	400°C	25.54	45.57	0.3576	1.6816	2.9815
	500°C	25.63	46.72	0.3565	1.6806	3.0656
	600°C	25.88	46.64	0.3532	1.6852	3.0596
	700°C	25.89	45.87	0.3531	1.6847	3.0030
	800°C	26.17	45.60	0.3496	1.6885	2.9837
	900°C	26.19	45.66	0.3493	1.6882	2.9879
KL	Raw coal	25.58	45.56	0.3571	1.5786	2.9808
	25°C	25.65	45.64	0.3562	1.5796	2.9865
	100°C	25.58	46.20	0.3571	1.5786	3.0270
	200°C	25.47	45.31	0.3585	1.5772	2.9632
	300°C	25.54	46.55	0.3576	1.5781	3.0529
	400°C	25.80	45.36	0.3543	1.5816	2.9667
	500°C	25.73	45.36	0.3552	1.5806	2.9667
	600°C	26.07	46.60	0.3509	1.5852	3.0566
	700°C	26.03	46.20	0.3513	1.5847	3.0270
	800°C	26.31	45.59	0.3479	1.5885	2.9830
	900°C	26.29	45.70	0.3481	1.5882	2.9908
SX	Raw coal	25.61	45.43	0.3567	1.3791	2.9717
	25°C	25.61	44.61	0.3567	1.3791	2.9152
	100°C	25.54	46.54	0.3576	1.3781	3.0521
	200°C	25.54	45.31	0.3576	1.3781	2.9632
	300°C	25.54	45.66	0.3576	1.3781	2.9879
	400°C	25.47	45.30	0.3585	1.3772	2.9625
	500°C	25.42	44.78	0.3592	1.3765	2.9267
	600°C	25.64	46.01	0.3563	1.3794	3.0131
	700°C	25.76	45.71	0.3548	1.3812	2.9915
	800°C	25.88	43.53	0.3532	1.3826	2.8444
	900°C	25.92	44.67	0.3527	1.3832	2.9192

▲: characteristic parameters of diffraction peak. ▼: crystallite structure parameters.