Literature DB >> 17581036

Simulated surface tensions of common water models.

Feng Chen1, Paul E Smith.   

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.

Entities:  

Year:  2007        PMID: 17581036     DOI: 10.1063/1.2745718

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  14 in total

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Journal:  J Phys Chem B       Date:  2010-08-05       Impact factor: 2.991

5.  Trimethylamine N-oxide stabilizes proteins via a distinct mechanism compared with betaine and glycine.

Authors:  Yi-Ting Liao; Anthony C Manson; Michael R DeLyser; William G Noid; Paul S Cremer
Journal:  Proc Natl Acad Sci U S A       Date:  2017-02-22       Impact factor: 11.205

6.  Theory and computer simulation of solute effects on the surface tension of liquids.

Authors:  Feng Chen; Paul E Smith
Journal:  J Phys Chem B       Date:  2008-07-09       Impact factor: 2.991

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Authors:  Jeetain Mittal; Gerhard Hummer
Journal:  Faraday Discuss       Date:  2010       Impact factor: 4.008

8.  Insight into the molecular mechanism of water evaporation via the finite temperature string method.

Authors:  Nicholas Musolino; Bernhardt L Trout
Journal:  J Chem Phys       Date:  2013-04-07       Impact factor: 3.488

9.  The complex nature of calcium cation interactions with phospholipid bilayers.

Authors:  Adéla Melcrová; Sarka Pokorna; Saranya Pullanchery; Miriam Kohagen; Piotr Jurkiewicz; Martin Hof; Pavel Jungwirth; Paul S Cremer; Lukasz Cwiklik
Journal:  Sci Rep       Date:  2016-12-01       Impact factor: 4.379

10.  Effectiveness of the Young-Laplace equation at nanoscale.

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Journal:  Sci Rep       Date:  2016-04-01       Impact factor: 4.379

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