Molecular Simulation Study on the Impact of a Cross-Linked Network Structure on the Tensile Mechanical Properties of PBT Substrates

Materials, Journal Year: 2025, Volume and Issue: 18(7), P. 1675 - 1675

Published: April 6, 2025

This study investigates the correlation between cross-linked network structure and macroscopic mechanical properties of 3,3-bis(azidomethyl)oxetane-tetrahydrofuran copolymer (PBT)-based solid propellants through molecular dynamics (MD) simulations. A multi-component system comprising PBT chains, toluene diisocyanate (TDI), trimethylolpropane (TMP), tetraethylene glycol (TEG), sodium perchlorate (AP) was constructed. Perl script programming utilized to precisely control dynamic cross-linking reaction. Molecular models with densities 0%, 50%, 60%, 70%, 80%, 90% were established, their analyzed under varying cross-link strain rates uniaxial tensile The results indicate that formation significantly alters energy distribution microstructural characteristics system. As density increases from 50% 90%, total decreases by approximately 40%, primarily due reductions in non-bonded energy. radial function (RDF) root mean square displacement (MSD) curves reveal reaction enhances covalent bond reduces degrees freedom, glass transition temperature (Tg). Under identical conditions, higher exhibit greater stress resistance. Specifically, growth rate 42.1% as stretching rises 1.0 × 1011 s−1 2.0 s−1, compared an 18.7% increase for These findings have significant implications optimizing processing parameters predicting propellants.

Language: Английский

Advances in PBT Binder and Its Application in Propellants

Polymers, Journal Year: 2025, Volume and Issue: 17(9), P. 1151 - 1151

Published: April 23, 2025

3,3-Bis (azide methyl) oxy-butyl ring (BAMO)-tetrahydrofuran (THF) copolyethers (PBT) are some of the most promising energetic binders. In this paper, methods synthesis PBT binders reviewed, and research progress in PBT-based solid propellants terms their thermal combustion behavior, curing rheology properties, energy aging mechanical safety performances systematically summarized. The problems shortcomings application thriving trends pointed out, providing support for speeding up practical high-energy propellants.

Language: Английский