Predicting molecular composition of primary product derived from fast pyrolysis of lignin with semi-detailed kinetic model

DA numerical approach is presented for predicting the yields of char and volatile components obtained from fast pyrolysis of three types of lignin (enzymatic hydrolysis lignin, EHL; organic extracted lignin, OEL; and Klason lignin, KL) in a two-stage tubular reactor (TS-TR) at 773-1223 K. The heating rate of lignin particle in the TS-TR was estimated at 10(2)-10(4) K/s by solving the heat transfer equation. The pyrolytic behavior of lignin and the formation of products in the temperature rising process were predicted using a semi-detailed kinetic model consisting of 93 species and 406 reactions, and the predicted yields of 8 primary products (i.e., char, tar, CO, CO2, H2O, CH3OH, C2H6, and C3H6) were compared with experimental data for the critical evaluation. For EHL, the predicted yields of char and H2O were in good agreement with the experimental results at all temperatures. However, the numerical simulation overestimated tar yield and underestimated CO yield at high temperature probably due to a lack of the kinetic model of the tar cracking reaction. The predicted yields of CH3OH, C2H6, and C3H6 were close to the experimental values at high temperature by adding the detailed chemical kinetic model of the secondary vapor-phase reaction. Moreover, the model reproduced the experimental observation that among the three types of lignin the char yield increased in the order of EHL < OEL < KL, whereas the tar yield decreased.