• 文献标题:   Theoretical Calculations and Experiments on the Thermal Properties of Fluorinated Graphene and Its Effects on the Thermal Decomposition of Nitrate Esters
  • 文献类型:   Article
  • 作  者:   MENG SQ, FU XL, JIANG LP, SHI L, WANG X, LIU XY, WANG JN
  • 作者关键词:   two dimensional material, energetic material, fluorinated graphene, nitrate ester, thermal decomposition
  • 出版物名称:   NANOMATERIALS
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   2
  • DOI:   10.3390/nano12040621
  • 出版年:   2022

▎ 摘  要

Fluorinated graphene contains F atoms with high levels of chemical activity, and the application of fluorinated graphene in energetic materials may greatly contribute to the progress of combustion reactions. However, there is a lack of research on the thermal properties of fluorinated graphene and its application on nitrate esters. In this paper, theoretical calculations and experiments were used to study the thermal properties of fluorinated graphene and its application on nitrate esters. The anaerobicity and poor thermal stability of fluorinated graphene were proved by ab initio molecular dynamics (AIMD) calculations and TG-DSC experiments. The ester weakening effect of fluorinated graphene on nitroglycerin was determined via wavefunction analysis, with the greater the fluorination degree, the stronger the ester weakening effect. The existence of fluorinated graphene can significantly increase the heat dissipation of the composites, which was concluded by TG-DSC experiments and TG-DSC-MS-FTIR. The research in this article provides an important reference for the application of fluorinated graphene in energetic materials.