The re-entrant transition from the molecular to atomic phases of dense fluids : the case of hydrogen

Lue, Leo and Pruteanu, Ciprian G. and Ackland, Graeme J. (2024) The re-entrant transition from the molecular to atomic phases of dense fluids : the case of hydrogen. Journal of Chemical Physics, 160 (19). 194502. ISSN 0021-9606 (https://doi.org/10.1063/5.0203884)

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Abstract

A simple phenomenological thermodynamic model is developed to describe the chemical bonding and unbonding in homonuclear diatomic systems. This model describes the entire phase diagram of dimer-forming systems and shows a transition from monomers to dimers, with monomers favored at both very low and very high pressures, as well as at high temperatures. In the context of hydrogen, the former region corresponds to hydrogen present in most interstellar gas clouds, while the latter is associated with the long sought-after fluid metallic phase. The model predicts a molecular to atomic fluid transition in dense deuterium, which is in agreement with recently reported experimental measurements.

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