不同煤级煤的Raman谱特征及与XRD结构参数的关系

11种Cdaf在57.58%～94.01%的不同变质程度煤的拉曼光谱实验表明不同变质程度煤的拉曼光谱一级模都存在两个明显的振动峰，分别为较为宽缓的D峰(1 340～1 380 cm-1)和相对较为尖锐的G峰(1 580～1 600 cm-1)。将800～1 800 cm-1范围的谱图拟合为两个洛仑兹峰，每个峰的峰位置，峰强度以及半峰宽等拉曼参数与碳含量的相关关系分析结果显示：D峰位置和G峰位置随碳含量的增加分别向低波数和高波数区域移动;两峰的峰位差随碳含量的增加而增加;两峰的半峰宽FWHM-D，FWHM-G及两峰强度比I_D/I_G在碳含量75％～94％范围内与碳含量线性相关。发现XRD分析获得的d002和L_c与拉曼谱中的G峰位置及半峰宽存在着良好的相关性。与X射线衍射得到的晶粒尺寸L_a值相关性分析表明用Cancado公式和KW公式对L_a进行估算均是不合理的。

Raman Spectroscopic Characteristics of Different Rank Coals and the Relation with XRD Structural Parameters

The Raman spectroscopic analysis for eleven different rank coals (57.58% to 94.01% of Cdaf, %) indicated that two distinct bands, i.e. D band (1 340-1 380 cm-1) and G band (1 580-1 600 cm-1), exist in the first order of Raman spectra, with the former being broader and the latter rather sharp. As the two bands were overlapped each other, each spectrum was fitted with two Lorentz peaks and the Raman information about position, intensity and FWHM of each band was thus obtained. The relation of these Raman parameters with Cdaf% showed that with the increase in C%, the position of D band and G band shifts to lower and higher frequency, respectively; the separation of the two band positions increases with the increase in C%; FWHM-D, FWHM-G and ID/IG have linear relationship with Cdaf% in the range of Cdaf% 75%-94%. The coal structural parameters, d002 and Lc from XRD are related with the position and FWHM of G band; the comparison of La from XRD and both from the Cancado and the KW equation indicated that the values from Cancado and the KW equation are unreasonable.