CHINESE JOURNAL OF ENERGETIC MATERIALS
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Design and Property Simulation of Bicyclobutyl and its Methyl Derivatives
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1.School of Textile Science and Engineering, Tiangong University, Tianjin 300387, China;2.Key Laboratory of Science and Technology on Particle Materials, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China;3.Zhongke Langfang Institute of Process Engineering, Langfang 065001, China;4.Zhengzhou Institute of Emerging Industrial Technology, Zhengzhou 450000, China

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    Abstract:

    In order to obtain high energy density liquid propellant fuels and increase the payload of the launch vehicle, 20 different methyl-substituted 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 para-substituted, its molecular stability is the best, and the heat of formation and specific impulse are larger, while the ortho-position 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 high-energy fuels.

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王清晨,夏洋峰,刘龙,等.联环丁烷及其甲基衍生物的设计和性质模拟[J].含能材料,2021,29(7):634-640.
WANG Qing-chen, XIA Yang-feng, LIU Long, et al. Design and Property Simulation of Bicyclobutyl and its Methyl Derivatives[J]. Chinese Journal of Energetic Materials,2021,29(7):634-640.

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History
  • Received:October 31,2020
  • Revised:May 06,2021
  • Adopted:February 08,2021
  • Online: April 27,2021
  • Published: July 25,2021