- Multi-level optimization of biomass chemical looping gasification process based on composite oxygen carrier
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- 关键字：COMBUSTION; REAXFF; COAL; PYROLYSIS; LIGNIN
- 摘要：Biomass chemical looping gasification (BCLG) is one of the essential technology to utilize renewable resources, but the current lack of in-depth research on BCLG makes it difficult for practical industrial applications. In this paper, the combination of quantum chemical calculation, ReaxFF molecular dynamic (ReaxFF MD) simulation, and process simulation is used to conduct an in-depth study of BCLG process. Firstly, three composite oxygen carriers (CuFe2O4, CoFe2O4, and Fe3O4) are selected by density functional theory (DFT), which finally indicates that CuFe2O4 is the best composite oxygen carrier for BCLG. Then, the reaction mechanism between syngas and oxygen carrier surface is studied at the microscopic level, which validates the high performance of CuFe2O4. After determining the oxygen carrier, the reaction mechanism of BCLG and the effect of temperature on the product distribution are studied by ReaxFF MD simulation. Finally, the process simulation of BCLG is constructed based on the results discussed above.
- 卷号：287
- 期号：
- 是否译文：否
