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

Lue, Leo and Pruteanu, Ciprian and Ackland, G. J. (2024) The re-entrant transition from the molecular to atomic phases of dense fluids : the case of hydrogen. Journal of Chemical Physics. ISSN 0021-9606 (In Press)

[thumbnail of Lue-et-al-The-re-entrant-transition-from-the-molecular-to-atomic-phases-of-dense-fluids] Text. Filename: Lue-et-al-The-re-entrant-transition-from-the-molecular-to-atomic-phases-of-dense-fluids.pdf
Accepted Author Manuscript
Restricted to Repository staff only until 1 January 2099.
Download (1MB) | Request a copy

Abstract

A simple phenomenological thermodynamic model is developed to describe the chemical bonding and unbonding in homonuclear diatomic systems. The 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 temperature. 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 that is in agreement with recently reported experimental measurements.

CORE (COnnecting REpositories)