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Updated: Jul 6, 2025
06:35
Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
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Liquid Structure and Hydrogen Bonding in Aqueous Hydroxylammonium Nitrate.
Daniel D Depew1, Ghanshyam L Vaghjiani2, Shehan M Parmar3
1Department of Astronautical Engineering, University of Southern California, Los Angeles, California 90089, United States.
The Journal of Physical Chemistry. B
|January 9, 2024
Summary
Hydroxylammonium nitrate (HAN) in water forms a complex hydrogen-bonding network that changes with concentration. This study reveals how HAN influences water structure and ion interactions, vital for developing green spacecraft propellants.
Area of Science:
- Physical Chemistry
- Materials Science
- Chemical Engineering
Background:
- Ionic liquid-based propellants offer environmental advantages for spacecraft.
- Aqueous hydroxylammonium nitrate (HAN) properties are understudied.
- Understanding HAN-water interactions is key for propellant development.
Purpose of the Study:
- Investigate hydrogen bonding in aqueous HAN solutions.
- Analyze the impact of HAN concentration on structure and properties.
- Elucidate the proton transfer mechanism in HAN-water systems.
Main Methods:
- Classical polarizable molecular dynamics simulations using the APPLE&P force field.
- Analysis of radial distribution functions (RDFs) and spatial distribution functions (SDFs).
- Examination of water density and dipole moment orientation around ions.
Main Results:
- Water integrates into the HAN hydrogen-bonding network via interstitial accommodation at higher concentrations.
- Ion pairs are present across all concentrations.
- The frequency of Ha···On hydrogen bonds increases significantly with HAN concentration.
Conclusions:
- Detailed insights into aqueous HAN structure and hydrogen bonding are provided.
- Findings clarify the role of HAN in water's hydrogen-bonding network.
- This research is crucial for advancing "green" spacecraft propellant technology.
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