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February 21, 2026Fuel CommunicationsOpen Access

Molecular Dynamics Simulation Study on the Aging Process of RDX/HTPB Propellants at Different Temperatures

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Authors

YLYang LijunXJXia JunXMXiang Min

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Overview

Molecular dynamics simulations reveal aging effects on propellant stability at varying temperatures, indicating safety implications.

Key Points

  • The study aims to understand the aging dynamics of RDX/HTPB propellants under different temperature conditions.
  • Conducted molecular dynamics simulations using the ReaxFF/lg reactive force field.
  • Analyzed changes in potential energy, species evolution, and product distribution patterns.
  • Examined the relationship between temperature and aging rate of the propellant.
  • Lower temperatures correlate with slower aging rates of the propellant.
  • Aging rates exponentially increase at temperatures exceeding 1000 K.
  • The predominant initial reaction involves cleavage of N−NO 2 bonds in RDX.
  • The fitted activation energy for the aging process is 85.59 kJ/mol.

Cite This Study

Lijun et al. (2026) studied this question.

synapsesocial.com/papers/69994a7f873532290d01ee3bhttps://doi.org/10.1016/j.jfueco.2026.100156
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