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Rules of Formation of H-C-N-O Compounds at High Pressure, the Fates of Planetary Ices

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The solar system’s outer planets, and many of their moons, are dominated by matter from the H–C–N–O chemical space, based on solar system abundances of hydrogen and the planetary ices H2O , CH4, and NH3 . It is unclear how these mixtures will behave under the high pressures found near the core-mantle boundary. If the molecules are to decompose, what new materials will form? I will discuss ab initio techniques with crystal structure prediction to discover new stable compounds in the quaternary H–C–N–O phase diagram. I will also discuss how these results have implications for the understanding of icy planetary interiors and the underlying chemical trends that determine stability at these pressures.

This talk is part of the Lennard-Jones Centre series.

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