双氟功能化石墨烯对亚稳态分子间复合物燃效增强机理研究

This project aims at the problem of poor combustion effect caused by the existence of alumina on the surface of activated aluminum and the easy agglomeration during the combustion process during the combustion process of nanothermites, and proposed the use of bifluorinated graphene to enhance its combustion effect. First, study the controllable method for the preparation of bifluorinated functional graphene, design and determine the bifluorinated functionalization plan of graphene; on this basis, study the matching relationship between bifluorinated functionalized graphene and nanothermites. Dispersed in the nanothermites to achieve the controllable preparation of bifluoro-functional graphene/nanothermites; subsequently, the combustion characteristics of the nanothermites containing bifluoro-functional graphene are evaluated, and the intermediate products are analyzed to determine the combustion Reaction process; Finally, combining first-principles calculations, a study was conducted on the mechanism of enhancing the fuel efficiency of nanothermites by difluoro-functional graphene. Through the research of this project, it is expected to effectively improve the combustion effect of nanothermites, provide a certain theoretical basis for subsequent research on fuel efficiency enhancement, and play a certain positive role for the development of China's military equipment.

本项目提出构筑双氟功能化石墨烯并用于增强亚稳态分子间复合物燃烧效果的研究思路，针对亚稳态分子间复合物中铝粉燃烧不充分的问题，从石墨烯的功能和结构设计出发，结合氟元素的高侵蚀特性和石墨烯的高导热特性，构筑具有燃效增强作用的双氟功能化石墨烯。围绕原位氟化取代位点、负载氟化位置和数量对石墨烯进行设计，研究双氟功能化石墨烯在亚稳态分子间复合物中的分散特性，并通过对亚稳态分子间复合物的燃烧特性的研究，明确燃烧反应路径，揭示原位掺杂氟、负载氟和石墨烯的作用机理，结合理论计算，阐明双氟功能化石墨烯对亚稳态分子间复合物的燃效增强机理。本项目的开展，有望为解决亚稳态分子间复合物的燃烧不充分的问题提供可行解决方案，为后续燃效增强研究提供一定的理论依据，为我国高效能军事装备发展起到一定的促进作用。

本项目设想通过对石墨烯进行合理功能化修饰，获得合适的双氟功能化修饰方案，并构建FFGO/MICs纳米铝热剂体系，通过改变FFGO在FFGO/MICs体系中的状态，研究其燃效增强效果，最终获得FFGO对MICs燃效增强的一般性规律。考虑到项目研究的合理性，项目主要分为三部分开展研究，分别为Al/PVDF MICs体系的构建及其性能研究、燃烧增强型 Al/CuO/PVDF MICs体系的构建及其性能研究、双氟增效Al/CuO/PVDF/FG MICs体系的构建及其性能研究。前两部分主要考察单氟存在的情况下，氟元素对MICs的燃效增强作用。研究发现，在Al/PVDF体系中，由于氟元素的存在，PVDF可以改善Al粉的燃烧，并且随着PVDF含量的增加，样品的点火延迟时间减短，燃烧变得更加剧烈，燃烧效果得到改善。同时，PVDF对MICs体系存在激活作用，可实现纳米铝热剂燃烧效率与能量释放效率的提高。第三部分，则主要考察，双氟存在的情况下，MICs的燃效增强机理。氟化石墨烯的加入，与PVDF形成FFGO体系，一方面FFGO可以降低MICs的团聚情况，促进MICs中各组分均匀分散，另一方面更加充足的氟元素，可进一步提高提高双氟体系下MICs的燃烧效果。