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.
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7 April 2012
Research Article|
April 02 2012
A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel
A. P. Markesteijn;
A. P. Markesteijn
1Laboratory for Aero & Hydrodynamics,
Delft University of Technology
, Leeghwaterstraat 21, 2628 CA Delft, The Netherlands
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Remco Hartkamp;
Remco Hartkamp
2Multi Scale Mechanics, MESA+ Institute for Nanotechnology,
University of Twente
, P.O. Box 217, 7500 AE Enschede, The Netherlands
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S. Luding;
S. Luding
2Multi Scale Mechanics, MESA+ Institute for Nanotechnology,
University of Twente
, P.O. Box 217, 7500 AE Enschede, The Netherlands
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J. Westerweel
J. Westerweel
1Laboratory for Aero & Hydrodynamics,
Delft University of Technology
, Leeghwaterstraat 21, 2628 CA Delft, The Netherlands
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J. Chem. Phys. 136, 134104 (2012)
Article history
Received:
March 07 2012
Accepted:
March 10 2012
Citation
A. P. Markesteijn, Remco Hartkamp, S. Luding, J. Westerweel; A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel. J. Chem. Phys. 7 April 2012; 136 (13): 134104. https://doi.org/10.1063/1.3697977
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