Simulated surface tensions of common water models
| dc.citation.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.author | Chen, Feng | |
| dc.contributor.author | Smith, Paul E. | |
| dc.contributor.authoreid | pesmith | en_US |
| dc.date.accessioned | 2011-08-22T16:27:46Z | |
| dc.date.available | 2011-08-22T16:27:46Z | |
| dc.date.issued | 2007-06-12 | |
| dc.date.published | 2007 | en_US |
| 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.identifier.uri | http://hdl.handle.net/2097/12052 | |
| dc.relation.uri | http://doi.org/10.1063/1.2745718 | en_US |
| dc.rights | This Item is protected by copyright and/or related rights. You are free to use this Item in any way that is permitted by the copyright and related rights legislation that applies to your use. For other uses you need to obtain permission from the rights-holder(s). | en_US |
| dc.rights.uri | http://rightsstatements.org/vocab/InC/1.0/ | |
| 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 |
