z-logo
open-access-imgOpen Access
A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel
Author(s) -
Anton P. Markesteijn,
Remco Hartkamp,
Stefan Luding,
Jerry Westerweel
Publication year - 2012
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.3697977
Subject(s) - hagen–poiseuille equation , viscosity , water model , thermodynamics , nanofluidics , newtonian fluid , mechanics , materials science , molecular dynamics , flow (mathematics) , chemistry , physics , nanotechnology , computational chemistry
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

The content you want is available to Zendy users.

Already have an account? Click here to sign in.
Having issues? You can contact us here
Accelerating Research

Address

John Eccles House
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom