Prediction of low‐rank coal pyrolysis behavior by chemical percolation devolatilization model

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The chemical percolation devolatilization (CPD) model was proposed to predict the pyrolysis behavior of fast‐heated coal based on the chemical structure of low‐rank coal sample. The coal‐dependent chemical structure parameters were taken directly from solid state 13C nuclear magnetic resonance (NMR) analysis, with the exception of one empirical coefficient initial fraction of char bridges (c0). The Fourier transform infrared spectroscopic analysis was also employed to describe the pyrolysis characteristics of parent coal. The predictions of amount and characteristics of volatiles, tar and char from CPD model indicated that the crosslinking mechanism plays an important role for the pyrolysis of low‐rank coal. In order to deeply understand the structure and chemical bonds of coal sample, the average chemical structure of low‐rank coal was built by ACD/Labs software of ChemSketch. The 13C NMR spectrum of established average coal structure fitted well with that of parent coal sample. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 1215–1220, 2016