A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel

A.P. Markesteijn, Remco Hartkamp, Stefan Luding, J. Westerweel

Research output: Contribution to journalArticleAcademicpeer-review

64 Citations (Scopus)
78 Downloads (Pure)

Abstract

The viscosity-temperature relation is determined for the water models SPC/E, TIP4P, TIP4P/Ew, and TIP4P/2005 by considering Poiseuille flow inside a nano-channel using molecular dynamics. The viscosity is determined by fitting the resulting velocity profile (away from the walls) to the continuum solution for a Newtonian fluid and then compared to experimental values. The results show that the TIP4P/2005 model gives the best prediction of the viscosity for the complete range of temperatures for liquid water, and thus it is the preferred water model of these considered here for simulations where the magnitude of viscosity is crucial. On the other hand, with the TIP4P model, the viscosity is severely underpredicted, and overall the model performed worst, whereas the SPC/E and TIP4P/Ew models perform moderately.
Original languageEnglish
Article number134104
Pages (from-to)1-8
Number of pages8
JournalJournal of chemical physics
Volume136
Issue number13
DOIs
Publication statusPublished - 2 Apr 2012

Keywords

  • METIS-294019
  • IR-80400

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