山西阳煤无烟煤分子结构特征分析

Analysis of molecular structure characteristics of anthracitein Shanxi Yangquan coal

本文以山西阳煤二矿无烟煤为研究对象,采用傅里叶红外光谱(FTIR)、X射线光电子能谱(XPS)、X射线衍射(XRD)等测试手段表征煤的元素赋存方式和煤体微晶结构。结果表明:芳香烃以苯环二取代为主,占芳香烃总量的44.93%,苯环三或五取代为辅,苯环四含量最少;含氧官能团中,酚、醇、醚中的醚氧键含量占60.78%,芳香脂和羰基的含量分别占0.79%和1.00%;脂肪烃以亚甲基为主占总量的58.97%,甲基和次甲基为辅,分别占29.82%和11.21%。羟基醚氧氢键和羟基自缔合氢键分别占羟基的40.43%和36.72%。由无烟煤的半定量结构参数(A、AR、DOC、′A′、′C′)可知该煤具有较低的生烃潜能和较高的成熟度。吡咯是无烟煤中氮元素最主要的赋存形式,占51.28%,吡啶含量次之,质子化吡啶和氮氧化物赋存最少。噻吩、砜和亚砜、为无烟煤中有机硫的主要赋存状态,分别占硫总量的47.37%、19.60%,无机硫占33.03%。获取无烟煤层间距d_(002)为0.3513nm、芳香层片延展度L_(a)为1.79nm、堆垛高度L_(c)为2.23nm,芳香层堆砌层数N_(ave)为6.35层。

In this paper,Fourier infrared spectroscopy(FTIR),X-ray photoelectron spectroscopy(XPS),X-ray diffraction(XRD)and other tests were used to characterize the elemental assignment mode and the microcrystalline structure of coal body using anthracite coal from Yangcoal No.2 mine in Shanxi Province as the research object.The results showed that:aromatic hydrocarbons were mainly benzene ring disubstituted,accounting for 44.93%of the total aromatic hydrocarbons,supplemented by benzene ring trisubstituted or pentasubstituted,with the least content of benzene ring tetra;among the oxygen-containing functional groups,phenols,alcohols and ethers had 60.78%of the ether-oxygen bond,while aromatic lipids and carbonyl groups accounted for 0.79%and 1.00%,respectively;aliphatic hydrocarbons were mainly methylene accounting for 58.97%of the total,supplemented bymethyl andhypomethyl,accounting for 29.82%and 11.21%,respectively.They accounted for 11.21%and 10.84%,respectively.The Hydroxyl ether oxygen hydrogen bond and hydroxyl self-conjugated hydrogen bonds accounted for 40.43%and 36.72%of the hydroxyl groups,respectively.The semi-quantitative structural parameters(A、AR、DOC、′A′、′C′)of the anthracite coal indicated that the coal had low hydrocarbon generation potential and high maturity.Pyrrole was the most dominant fugitive form of nitrogen in the anthracite coal,accounting for 51.28%,followed by pyridine content,with the least fugitive protonated pyridine and nitrogen oxides.Thiophene,sulfone and sulfoxide,were the main fugitive states of organic sulfur in anthracite coal,accounting for 47.37%and 19.60%of the total,respectively,and 33.03%of inorganic sulfur.The anthracite layer spacing d_(002) was obtained as 0.351 3 nm,the aromatic layer sheet ductility L_(a) was 1.79 nm,the stacking height L_(c) was 2.23 nm,and the number of aromatic layer stacking N_(ave) was 6.35 layers.