Entrained-Flow Coal Gasification Process Simulation with the Emphasis on Empirical Char Conversion Models Optimization Procedure

Computational fluid dynamics (CFD) modeling of an entrained-flow reactor is demonstrated and compared with experimental data. The study is focused on char conversion modeling and its impact on gasification simulation results. An innovative procedure of optimizing input data to empirical char conversion kinetic-diffusion model is investigated, based on the complex carbon burnout kinetic model for oxidation (CBK/E) and gasification (CBK/G). The kinetics of the CBK/G model is determined using the data from char gasification experiments in a drop tube reactor. CFD simulations are performed for the laboratory-scale entrained-flow reactor at Brigham Young University for the bituminous coal. A substantial impact of applied kinetic parameters on the in-reactor gas composition and char conversion factor was observed. The effect was most considerable for the reduction zone, where gasification reactions dominate, although a non-negligible impact could also be observed in the flame zone. Based on the quantitative assessment of the incorporated optimization procedure, its application allowed to obtain one of the lowest errors of CO, H-2, CO2, and H2O axial distribution with respect to the experimental data. The maximum errors for these species were equal to 18.48, 7.95, 10.15, and 20.22%, respectively, whereas the average errors were equal to 4.82, 5.47, 4.72, and 9.58%, respectively.

Automated summary

This study focuses on the impact of char conversion modeling on gasification simulation results and demonstrates the optimization of input data to empirical char conversion kinetic-diffusion model. By applying kinetic parameters, significant impacts on in-reactor gas composition and char conversion factor were observed, with the optimization procedure resulting in some of the lowest errors in comparison to experimental data.