Abstract
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.
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