Effects of NPBA on interface interaction and mechanical properties of NEPE propellant: Insight from molecular dynamics simulation
Source abstract
Abstract
Abstract To search a more efficient method for neutral polymeric bonding agents (NPBA) structure screening and nitrate ester plasticized polyether (NEPE) propellant formulation design, the effects of NPBA on interface interaction and mechanical properties of NEPE propellants were investigated by using molecular dynamics (MD) simulations. The simulation results show that the NPBA can significantly improve the interface bonding energy of NEPE propellant, and the pair correlation function g(r) analysis indicates that strong hydrogen bonds exist between NPBA and cyclotrimethylene trinitramine (RDX). Furthermore, the results demonstrate that the mechanical properties of NEPE propellants can be significantly improved by adding small amounts of NPBA. Moreover, it is found that the performance of NPBA1 is better than NPBA2, and these simulation results coincide with the experiment results. Our researches afford a microscopic insight into the mechanism of NPBA, and might be helpful to the NPBA molecular structure and NEPE formulation design.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Energetic Materials and Combustion · Polymer crystallization and properties · Carbon Nanotubes in Composites
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (40)
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