Knowledge Management System Of Guangzhou Institute of Energy Conversion, CAS
| Simulation methods of cotton pyrolysis based on ReaxFF and the in fl uence of volatile removal ratio on volatile evolution and char formation | |
| Batuer, Adili1; Chen, Dezhen1; He, Xingchu1; Huang, Zhen2 | |
| 2021-02-01 | |
| Source Publication | CHEMICAL ENGINEERING JOURNAL
 |
| ISSN | 1385-8947 |
| Volume | 405Pages:13 |
| Corresponding Author | Chen, Dezhen(chendezhen@tongji.edu.cn) ; Huang, Zhen(huangzhen@ms.giec.ac.cn) |
| Abstract | To understand the influence of volatile removal ratio from the system on pyrolysis characteristics of cotton, a simulation model was proposed by performing both non-isothermal and isothermal simulations using ReaxFF molecular dynamics. Thermogravimetric-Fourier transform infrared (TG-FTIR) was used to study the overall evolution behaviors of volatile from cotton pyrolysis as a reference to simulation results. In non-isothermal simulations, volatile was remained inside the simulation unit during the entire process, while in isothermal simulations a portion of volatile was removed from the simulation unit before starting next simulation at a higher temperature. Results showed that although the non-isothermal simulation method can predict a TG curve similar to the one obtained from the experiment and can reveal the initial evolution behaviors of the volatile, but the atomic contents of chars were unpractical. In isothermal simulations, 100, 80, 60 and 30 % volatile removal ratios (VRR) were employed to resemble the different extent of secondary reactions that volatiles undergo in practical pyrolysis. It was found that contents of aldehydes and C-H were mostly influenced by VRR; and simulations with higher VRR produced chars with lower O and H contents, being close to the practical chars. Simulations with 80, 100 % of VRR had a higher probability to match the reality. |
| Keyword | Waste cotton ReaxFF-MD TG-FTIR Pyrolysis Volatile evolution Volatile removal ratio |
| DOI | 10.1016/j.cej.2020.126633 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Natural Science Foundation of China[51776141] |
| WOS Research Area | Engineering |
| Funding Organization | National Natural Science Foundation of China |
| WOS Subject | Engineering, Environmental ; Engineering, Chemical |
| WOS ID | WOS:000623319400001 |
| Publisher | ELSEVIER SCIENCE SA |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.giec.ac.cn/handle/344007/32746 |
| Collection | 中国科学院广州能源研究所 |
| Corresponding Author | Chen, Dezhen; Huang, Zhen |
| Affiliation | 1.Tongji Univ, Thermal & Environm Engn Inst, Sch Mech Engn, 1239 Siping Rd, Shanghai 200092, Peoples R China 2.Chinese Acad Sci, Guangzhou Inst Energy Convers, Key Lab Renewable Energy, Guangzhou 510640, Peoples R China |
| Recommended Citation GB/T 7714 | Batuer, Adili,Chen, Dezhen,He, Xingchu,et al. Simulation methods of cotton pyrolysis based on ReaxFF and the in fl uence of volatile removal ratio on volatile evolution and char formation[J]. CHEMICAL ENGINEERING JOURNAL,2021,405:13. |
| APA | Batuer, Adili,Chen, Dezhen,He, Xingchu,&Huang, Zhen.(2021).Simulation methods of cotton pyrolysis based on ReaxFF and the in fl uence of volatile removal ratio on volatile evolution and char formation.CHEMICAL ENGINEERING JOURNAL,405,13. |
| MLA | Batuer, Adili,et al."Simulation methods of cotton pyrolysis based on ReaxFF and the in fl uence of volatile removal ratio on volatile evolution and char formation".CHEMICAL ENGINEERING JOURNAL 405(2021):13. |
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