The high gravimetric (58.74 kJ/g) and volumetric (137.45
kJ/cm3) heat values loaded in boron (B) offer significant
potential
for application in solid propellants and explosives. However, the
high melting (2076 °C) and boiling (3927 °C) points of boron
powder and the low melting point (450 °C) of oxidation products
affect the energy performance and application of boron. Fluorine-containing
polymers have high oxidation potential and excellent mechanical properties
and can produce expectant gaseous products through the combustion
reaction with boron oxide, but research examining the interaction
between purified boron powder and fluoropolymers and the optimal selection
of the fluoropolymer remains scarce. Herein, the binding energy between
typical fluoropolymers [Viton, polyvinylidene fluoride, poly(vinylidene
fluoride-co-chlorotrifluoroethylene), and vinylidene
fluoride] and boron was calculated via molecular dynamics simulations,
which shows that Viton is an appropriate candidate for coating boron
powder. In the experiment, The Bw@Viton core–shell
composites were prepared using Viton as the coating layer, and boron
powder was pre-purified with acetonitrile. Its structure, thermal
properties, ignition, and combustion characteristics were then characterized.
The results revealed successful removal of the oxide layer, and the
hydrophobicity was significantly improved after Viton coating. Purification
and coating synergistically enhance the energy release of boron powder,
and the composites demonstrated excellent thermal, ignition, and combustion
performances. In particular, the heat of oxidation and heat of combustion
were increased by 26.6 and 32.7%, respectively. The ignition delay
time was reduced by 53.2% compared to raw boron. A prospective reaction
mechanism between boron and Viton is thus proposed.