Tar cracking predicted by Boltzmann-Monte Carlo-Percolation (BMCP) model

Tar cracicing is important in moderate temperature gasification processes, but little work focuses on generalized quantitative prediction. The previous Boltzmann-Monte Carlo-Percolation (BMCP) model can give a semi quantitative prediction on coal volatiles' pyrolysis without empirical parameters, however, the relationship between cycles and pyrolysis residence time was unclear and the input of bonds' population for BMCP model should be obtained firstly. The cracking experiments and analysis of two tar is carried out in a multi-stage furnace in this work, the bonds' populations are obtained by different NMR spectra. Inputting bonds' population and comparing the results of BMCP model with experimental data, it is found results from C-13 NMR spectra accord better with the experimental data than that from H-1 NMR spectra, but the deviations are less than 12% despite of inputs from which spectra. The results show that BMCP model can be used in predicting the cracking behaviors of tar quantitatively that can help to determine the size and temperature of thermal cracking zone. Furthermore, BMCP model may be a method to help to judge the correction of bonding information for complex hydrocarbons.