| Literature DB >> 12633299 |
Kevin Leung1, Alenka Luzar, Dusan Bratko.
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 10(5)(nm(2) s)(-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.Entities:
Year: 2003 PMID: 12633299 DOI: 10.1103/PhysRevLett.90.065502
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161