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Updated: Jun 4, 2026

Scattering And Absorption of Light in Planetary Regoliths
Published on: July 1, 2019
Structural and spectroscopic characterization of mixed planetary ices
Nuria Plattner1, Myung Won Lee, Markus Meuwly
1Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland.
Molecular dynamics simulations reveal how water bending vibrations in mixed ices (H2O/CO/CO2) change with structure. This helps understand planetary ice composition and evolution.
Area of Science:
- Planetary Science
- Astrochemistry
- Computational Physics
Background:
- Mixed ices are crucial for understanding planetary surfaces like Mars and Europa.
- Previous studies used atomistic simulations for H2O/CO amorphous ices.
Purpose of the Study:
- Investigate structural and spectroscopic properties of mixed H2O/CO/CO2 ices.
- Analyze the relationship between ice structure and infrared spectra.
Main Methods:
- Employed molecular dynamics (MD) simulations.
- Focused on atomistic interactions and infrared spectroscopy.
Main Results:
- Water bending mode is sensitive to the local molecular environment.
- Low-frequency spectrum changes significantly with CO2/H2O ice structure.
- CO2 presence induces larger structural changes than CO, affecting water bending vibrations.
Conclusions:
- Water bending vibration serves as a diagnostic tool for mixed ice structure and chemistry.
- Findings enhance understanding of icy bodies in the solar system.
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