Dynamics of Capillary Drying in Water

Kevin Leung, Alenka Luzar, and Dusan Bratko
Phys. Rev. Lett. 90, 065502 – Published 13 February 2003

Abstract

We use atomistic simulations to address the question when capillary evaporation of water confined in a hydrocarbonlike slit is kinetically viable. Activation barriers and absolute rates of evaporation are estimated using open ensemble Monte Carlo–umbrella sampling and molecular dynamics simulations. At ambient conditions, the evaporation rate in a water film four molecular diameters thick is found to be of the order 105(nm2s)1, meaning that water readily evaporates. Films more than a few nanometers thick will persist in a metastable liquid state. Dissolved atmospheric gas molecules do not significantly decrease the activation barrier.

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  • Received 17 July 2002

DOI:https://doi.org/10.1103/PhysRevLett.90.065502

©2003 American Physical Society

Authors & Affiliations

Kevin Leung1, Alenka Luzar2, and Dusan Bratko3

  • 1Sandia National Laboratories, MS 1421, Albuquerque, New Mexico 87185
  • 2Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94143
  • 3College of Chemistry, University of California, Berkeley, California 94720

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Issue

Vol. 90, Iss. 6 — 14 February 2003

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