Investigation of co-pyrolysis of coals and biomass by Boltzmann-Monte Carlo-Percolation (BMCP) model

Due to the complex of feeds and various operating parameters, the co-pyrolysis is an empirical process and the optimization rely highly on the existed experiments. Using statistical mechanism Boltzmann-Monte CarloPercolation (BMCP) model, the influences of sorts and weight ratio in feeds, mass transfer resistance, and temperature are investigated. The simulation results show the antagonist effects is dominate, and the mass transfer resistance can hardly change the antagonist trends; while lowering down temperature or shorten the residence time can lead to synergistic effect converted from antagonist effect. The antagonist effects are ascribed to the interaction between biomass- and coal-origin radicals that alter the reaction pathway and lower down the energy barriers to generated volatiles. The BMCP model provide not only quantitative prediction on products? distribution combining with parameters describe diffusion, but also speculations on mechanism from bonds/ radicals? perspective and strategies on maximizing target products? yields.