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March 19, 2026Industrial & Engineering Chemistry Research0 citations

Crystal Surface Engineering Strategy for ADN: Synergistic Spherical Granulation and MD-Guided Coating

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SZShuai ZhengJQJiaxin QinXCXinjian Chen

Key Points

  • The aim is to enhance the usability of ammonium dinitramide by reducing hygroscopicity and improving safety.
  • Developed a spherical granulation and hydrophobic coating strategy for ADN.
  • Screened 12 hydrophobic materials using molecular dynamics simulations.
  • Optimized melt granulation parameters including stirring speed and viscosity.
  • Coated ADN using Fluorocarbon Surfactant FC-02, identified as the optimal material through simulations.
  • The interaction energy between FC-02 and ADN was −1554.98 kJ/mol.
  • Particle size of ADN decreased to 0.16 mm with a sphericity of 0.819 post-granulation.
  • Water absorption reduced to 0.39%, indicating improved hydrophobicity.
  • Friction sensitivity decreased by 16%, enhancing safety measures.

Abstract

Ammonium dinitramide (ADN), an eco-friendly oxidizer for propellants, offers high specific impulse but suffers from severe hygroscopicity, limiting its use. To address this, a stepwise “spherical granulation & Molecular Dynamics (MD) simulation-guided hydrophobic coating” strategy is presented. MD screened 12 hydrophobic materials for ADN coating compatibility. Experimental validation involved optimizing melt granulation stirring speed and viscosity, employing Fluorocarbon Surfactant FC-02 coating. The results indicate that MD simulations identified FC-02 as the optimal coating material, with an interaction energy of −1554.98 kJ/mol with ADN, dominated by electrostatic interactions. After optimizing melt granulation parameters, the ADN particle size decreased to 0.16 mm, with a sphericity reaching 0.819. Following FC-02 coating, the water absorption of ADN decreased to 0.39%, while maintaining stable energy performance, and friction sensitivity reduced by 16%, significantly enhancing safety. This study shows the synergistic mechanism of “spherical granulation and hydrophobic coating,” providing theoretical support for the engineering application of ADN in propellants.

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Cite This Study

Zheng et al. (2026) studied this question.

synapsesocial.com/papers/69bb928c496e729e6297ff07https://doi.org/10.1021/acs.iecr.6c00390
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