| Literature DB >> 28147524 |
Lorenzo Rovigatti1, Valentino Bianco2, José Maria Tavares3, Francesco Sciortino4.
Abstract
A re-entrant gas-liquid spinodal was proposed as a possible explanation of the apparent divergence of the compressibility and specific heat off supercooling water. Such a counter-intuitive possibility, e.g., a liquid that becomes unstable to gas-like fluctuations on cooling at positive pressure, has never been observed, neither in real substances nor in off-lattice simulations. More recently, such a re-entrant scenario has been dismissed on the premise that the re-entrant spinodal would collide with the gas-liquid coexisting curve (binodal) in the pressure-temperature plane. Here we study, numerically and analytically, two previously introduced one-component patchy particle models that both show (i) a re-entrant limit of stability of the liquid phase and (ii) a re-entrant binodal, providing a neat in silico (and in charta) realization of such unconventional thermodynamic scenario.Entities:
Year: 2017 PMID: 28147524 DOI: 10.1063/1.4974830
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488