Limit of Metastability for Liquid and Vapor Phases of Water

Woo Jong Cho, Jaegil Kim, Joonho Lee, Thomas Keyes, John E. Straub, and Kwang S. Kim
Phys. Rev. Lett. 112, 157802 – Published 16 April 2014
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Abstract

We report the limits of superheating of water and supercooling of vapor from Monte Carlo simulations using microscopic models with configurational enthalpy as the order parameter. The superheating limit is well reproduced. The vapor is predicted to undergo spinodal decomposition at a temperature of Tspvap=46±10°C (0°CTspvap100°C) under 1 atm. The water-water network begins to form at the supercooling limit of the vapor. Three-dimensional water-water and cavity-cavity unbroken networks are interwoven at critically superheated liquid water; if either network breaks, the metastable state changes to liquid or vapor.

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  • Received 14 September 2013

DOI:https://doi.org/10.1103/PhysRevLett.112.157802

© 2014 American Physical Society

Authors & Affiliations

Woo Jong Cho1,2, Jaegil Kim3, Joonho Lee2, Thomas Keyes4, John E. Straub4, and Kwang S. Kim1,*

  • 1Department of Chemistry, Ulsan National Institute of Science and Technology (UNIST), Ulsan 689-798, Korea
  • 2Department of Chemistry, Pohang University of Science and Technology, Pohang 790-784, Korea
  • 3Broad Institute of MIT and Harvard, Cambridge, Massachusetts 02142, USA
  • 4Department of Chemistry, Boston University, Boston, Massachusetts 02215, USA

  • *Corresponding author. kimks@unist.ac.kr

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Vol. 112, Iss. 15 — 18 April 2014

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