CO co-gasification of solid waste and biomass presents an approach for the comprehensive utilization of waste materials, biomass and carbon dioxide. In this study, the CO co-gasification of cellulose and high-density polyethylene was explored utilizing TG-FTIR method and ReaxFF MD simulation. The thermal behavior, synergistic effect, volatile release characteristics, activation energy and reaction mechanism were thoroughly analyzed. The experimental findings indicated that CO co-gasification involved four stages: drying, cellulose pyrolysis, polyethylene pyrolysis and semi-coke gasification. Co-gasification inhibited cellulose pyrolysis but promoted polyethylene pyrolysis, with the most pronounced promoting effect occurring at 40% polyethylene content. The absorbance curve suggested that CO release was associated with cellulose pyrolysis and the reaction between cellulose coke and CO, and C-H release was related to the pyrolysis of cellulose and polyethylene. Co-gasification alleviated the energy barrier, with the greatest effect occurring at 40% polyethylene content. The simulated results confirmed that the promotion of polyethylene pyrolysis was attributed to the connection of radicals from cellulose with polyethylene. Additionally, the combination of hydrocarbon radicals and hydrogen from polyethylene and cellulose contributed to gas production. This investigation provides insights into the thermochemical conversion characteristics for CO co-gasification of biomass and high-density polyethylene.

中文翻译：

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基于TG-FTIR和ReaxFF MD的纤维素与高密度聚乙烯CO2共气化研究


固体废物与生物质CO共气化提出了一种废物、生物质和二氧化碳综合利用的途径。本研究利用TG-FTIR方法和ReaxFF MD模拟对纤维素和高密度聚乙烯的CO共气化进行了探索。对其热行为、协同效应、挥发物释放特性、活化能和反应机理进行了深入分析。实验结果表明，CO共气化涉及四个阶段：干燥、纤维素热解、聚乙烯热解和半焦气化。共气化抑制了纤维素热解，但促进了聚乙烯热解，其中在聚乙烯含量为40%时促进作用最明显。吸光度曲线表明CO的释放与纤维素热解以及纤维素焦与CO的反应有关，C-H的释放与纤维素和聚乙烯的热解有关。共气化缓解了能量障碍，聚乙烯含量为 40% 时效果最大。模拟结果证实，聚乙烯热解的促进归因于纤维素自由基与聚乙烯的连接。此外，烃基与来自聚乙烯和纤维素的氢的结合有助于气体的产生。这项研究深入了解了生物质和高密度聚乙烯的 CO 共气化的热化学转化特性。