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arXiv · 2412.09350

Isotopic separation in mixed clusters of molecular hydrogen

Kiril M. Kolevski·Jie-Ru Hu·Massimo Boninsegni
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Abstract

We investigate mixed (50/50) clusters of parahydrogen and orthodeuterium at low temperature, by means of Quantum Monte Carlo simulations. Our results provide evidence of liquid-like behavior and partial isotopic separation in a cluster of 640 molecules, at temperature T=10 K. As the temperature is lowered below ~ 6 K, crystallization occurs, with no indication that the liquid phase is more resilient at low temperature in a mixed cluster. Isotopic separation is therefore predicted to take place at low temperature only through the slow process of molecular self-diffusion in a crystalline matrix.

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Kiril M. Kolevski, Jie-Ru Hu, Massimo Boninsegni. 2024-12-12. Isotopic separation in mixed clusters of molecular hydrogen. https://doi.org/10.1063/5.0260050

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