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

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Markesteijn, A.P. and Hartkamp, R.M. and Luding, S. and Westerweel, J. (2012) A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel. Journal of chemical physics, 136 (13). 1 - 8. ISSN 0021-9606

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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.
Item Type:Article
Copyright:© 2012 American Institute of Physics
Faculty:
Engineering Technology (CTW)
Link to this item:http://purl.utwente.nl/publications/80400
Official URL:http://dx.doi.org/10.1063/1.3697977
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Metis ID: 294019