Design and Property Simulation of Bicyclobutyl and its Methyl Derivatives
文献类型：期刊论文
| 作者 | Wang, Qingchen2; Xia, Yangfeng3; Liu, Long1,3; Zhang, Yanqiang3,4; Chen, Lei2; Yang, Wenfang2 |
| 刊名 | Hanneng Cailiao/Chinese Journal of Energetic Materials
 |
| 出版日期 | 2021-07-25 |
| 卷号 | 29期号:7页码:634-640 |
| 关键词 | Combustion - Rockets - Liquefied gases |
| ISSN号 | 10069941 |
| DOI | 10.11943/CJEM2020287 |
| 英文摘要 | In order to obtain high energy density liquid propellant fuels and increase the payload of the launch vehicle, 20 different methylsubstituted bicyclobutyl derivatives were designed, and the influence of the structure of bicyclobutyl derivatives on performance was studied through theoretical calculations. Results show that with the increasing number of methyl substituents, the heat of formation and specific impulse of bicyclobutyl derivatives show a decreasing trend. When the substituent is parasubstituted, its molecular stability is the best, and the heat of formation and specific impulse are larger, while the orthoposition substitution has a weakening effect on the heat of formation and specific impulse of bicyclobutyl derivatives. Among the designed compounds, the specific impulse of bicyclobutyl is the highest. When the mixing ratio of bicyclobutyl and liquid oxygen is 28.5:71.5, the specific impulse can reach 304.52 s, and the main combustion products are CO(34.64%), CO2(13.89%) and H2O (29.54%). The comprehensive performance of all designed products is better than that of rocket kerosene. This study provides theoretical support for the design and synthesis of highenergy fuels. 漏 2021 Institute of Chemical Materials, China Academy of Engineering Physics. All right reserved. |
| 学科主题 | Quantum Chemistry |
| 出版者 | Institute of Chemical Materials, China Academy of Engineering Physics |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/60313]  |
| 作者单位 | 1.Zhongke Langfang Institute of Process Engineering, Langfang; 065001, China 2.School of Textile Science and Engineering, Tiangong University, Tianjin; 300387, China 3.Key Laboratory of Science and Technology on Particle Materials, Institute of Process Engineering, Chinese Academy of Sciences, Beijing; 100190, China 4.Zhengzhou Institute of Emerging Industrial Technology, Zhengzhou; 450000, China |
| 推荐引用方式 GB/T 7714 | Wang, Qingchen,Xia, Yangfeng,Liu, Long,et al. Design and Property Simulation of Bicyclobutyl and its Methyl Derivatives[J]. Hanneng Cailiao/Chinese Journal of Energetic Materials,2021,29(7):634-640. |
| APA | Wang, Qingchen,Xia, Yangfeng,Liu, Long,Zhang, Yanqiang,Chen, Lei,&Yang, Wenfang.(2021).Design and Property Simulation of Bicyclobutyl and its Methyl Derivatives.Hanneng Cailiao/Chinese Journal of Energetic Materials,29(7),634-640. |
| MLA | Wang, Qingchen,et al."Design and Property Simulation of Bicyclobutyl and its Methyl Derivatives".Hanneng Cailiao/Chinese Journal of Energetic Materials 29.7(2021):634-640. |
入库方式： OAI收割
来源：过程工程研究所
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