Co-pyrolysis behaviors of coal and polyethylene by combining in-situ Py-TOF-MS and reactive molecular dynamics
文献类型：期刊论文
| 作者 | Feng, Wei1,2; Zheng, Mo3; Jin, Lijun4; Bai, Jin2; Kong, Lingxue2; Li, Huaizhu2; Bai, Zongqing2; Li, Wen2 |
| 刊名 | FUEL
 |
| 出版日期 | 2023 |
| 卷号 | 331页码:14 |
| 关键词 | Low-rank coal Polyethylene Co-pyrolysis ReaxFF MD Py-TOF-MS |
| ISSN号 | 0016-2361 |
| DOI | 10.1016/j.fuel.2022.125802 |
| 英文摘要 | Co-pyrolysis of waste plastics and low-rank coal is a promising approach to deal with the serious waste crisis and improve the clean utilization of low-rank coal. In this work, the comprehensive co-pyrolysis behaviors of low -rank coal and polyethylene plastics were explored systematically by combining TG experiment, in-situ Py-TOF-MS technique, and ReaxFF MD simulation. The consistent results were obtained among three approaches to demonstrate the positive interaction exists between coal and PE during the co-pyrolysis process, which leads to volatile yield increasing with PE addition. TG experimental results showed that the blending ratio of 7:3 for coal and PE has the strongest synergy during the co-pyrolysis process, while Py-TOF-MS experimental results unraveled that the synergistic effect of coal and PE was determined by changing the content of pyrolysis products rather than by producing cross-reaction products. The PE addition significantly reduced the yield of MAHs and normal alkyl-substituted monophenols and increased the yield of olefins, alkanes, and aromatic derivatives. ReaxFF MD simulation results complement the experimental observation to obtain similar weight loss profiles with TG experiments and consistent identification of major representative tar pyrolyzates with Py-TOF-MS ex-periments. Particularly, the detailed gas evolving trends and the underlying bond-breaking reactions of C-C, C-O, and C-H bonds were revealed by ReaxFF MD, which indicates PE addition promotes bond breaking of C-C and C-H to enhance more tar generation. The combination of experiments and ReaxFF MD simulations can capture the comprehension of the co-pyrolysis process between low-rank coal and PE, which can be extended to other co-pyrolysis applications for related solid fuels. |
| WOS关键词 | FORCE-FIELD ; REAXFF ; KINETICS ; BIOMASS ; SIMULATIONS ; EXTRACTION ; CONVERSION ; PRODUCTS ; BLENDS ; MODEL |
| 资助项目 | National Natural Science Foundation of China ; Key Research and Development Project of Shanxi Province ; Foundation of State Key Laboratory of Coal Conversion ; [22078353] ; [202102090301004] ; [J21-22-301] |
| WOS研究方向 | Energy & Fuels ; Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000889699400006 |
| 出版者 | ELSEVIER SCI LTD |
| 资助机构 | National Natural Science Foundation of China ; Key Research and Development Project of Shanxi Province ; Foundation of State Key Laboratory of Coal Conversion |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/56026]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Zheng, Mo; Bai, Jin |
| 作者单位 | 1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Coal Chem, State Key Lab Coal Convers, Taiyuan 030001, Peoples R China 3.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China 4.Dalian Univ Technol, Inst Coal Chem Engn, State Key Lab Fine Chem, Dalian 116024, Peoples R China |
| 推荐引用方式 GB/T 7714 | Feng, Wei,Zheng, Mo,Jin, Lijun,et al. Co-pyrolysis behaviors of coal and polyethylene by combining in-situ Py-TOF-MS and reactive molecular dynamics[J]. FUEL,2023,331:14. |
| APA | Feng, Wei.,Zheng, Mo.,Jin, Lijun.,Bai, Jin.,Kong, Lingxue.,...&Li, Wen.(2023).Co-pyrolysis behaviors of coal and polyethylene by combining in-situ Py-TOF-MS and reactive molecular dynamics.FUEL,331,14. |
| MLA | Feng, Wei,et al."Co-pyrolysis behaviors of coal and polyethylene by combining in-situ Py-TOF-MS and reactive molecular dynamics".FUEL 331(2023):14. |
入库方式： OAI收割
来源：过程工程研究所
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