DOI码：10.1016/j.crcon.2021.03.002
发表刊物：Carbon Resources Conversion
关键字：Anthracite Fourier transform infrared spectroscopy Carbon-13 nuclear magnetic resonance Molecular model Functional groups evolution
摘要：Fourier transform infrared spectroscopy (FTIR) and Carbon-13 nuclear magnetic resonance (13C NMR) techniques were applied to establish the molecular models of anthracite combusted at 490 ◦C and 690 ◦C (490◦C and 690◦C). The evolution laws of functional groups were investigated based on the constructed models and quantitative changes calculated by FTIR results. The content of aromatic groups kept decreasing before 500 ◦C; –CH3/ –CH2– showed a rising trend during combustion; and the content of oxygen functional groups kept declining before 400 ◦C. The chemical formulas of 490-C and 690-C were C217H106O12N2S2 and C201H59O8N3S2, respectively. 690-C model was more compact than that of original anthracite and 490-C due to the spilt of carbon skeleton and the shedding of aliphatic chains during combustion. Total sulfur content in anthracite showed a sudden rise at 690 ◦C which could be attributed to the generation of organic thiophene; one more pyrrole in 690◦C model resulted from the conversion of pyridine at such high temperature.
论文类型：期刊论文
学科门类：工学
一级学科：动力工程及工程热物理
文献类型：J
是否译文：否
发表时间：2021-03-11