Simulated surface tensions of common water models

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dc.contributor.author Chen, Feng
dc.contributor.author Smith, Paul E.
dc.date.accessioned 2011-08-22T16:27:46Z
dc.date.available 2011-08-22T16:27:46Z
dc.date.issued 2011-08-22
dc.identifier.uri http://hdl.handle.net/2097/12052
dc.description.abstract Initial simulated values of the surface tension for the SPC/E water model have indicated excellent agreement with experiment. More recently, differing values have been obtained which are significantly lower than previous estimates. Here, we attempt to explain the differences between the previous studies and show that a variety of simulation conditions can affect the final surface tension values. Consistent values for the surface tensions of six common fixed charge water models (TIP3P, SPC, SPC/E, TIP4P, TIP5P, and TIP6P) are then determined for four temperatures between 275 and 350 K. The SPC/E and TIP6P models provide the best agreement with experiment. en_US
dc.relation.uri http://jcp.aip.org/resource/1/jcpsa6/v126/i22/p221101_s1 en_US
dc.rights Copyright 2007 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. en_US
dc.subject Water en_US
dc.subject Surface tension en_US
dc.subject Liquid theory en_US
dc.subject Interface phenomena en_US
dc.title Simulated surface tensions of common water models en_US
dc.type Article (publisher version) en_US
dc.date.published 2007 en_US
dc.citation.doi doi: 10.1063/1.2745718 en_US
dc.citation.issue 22 en_US
dc.citation.jtitle The Journal of Chemical Physics en_US
dc.citation.volume 126 en_US
dc.contributor.authoreid pesmith en_US


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