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The shear viscosity of rigid water models
Abstract
In this work, the shear viscosity at ambient conditions of several water models (SPC/E, TIP4P, TIP5P, and TIP4P/2005) is evaluated using the Green–Kubo formalism. The performance of TIP4P/2005 is excellent, that of SPC/E and TIP5P is more or less acceptable, whereas TIP4P and especially TIP3P give a poor agreement with experiment. Further calculations have been carried out for TIP4P/2005 to provide a wider assessment of its performance. In accordance with experimental data, TIP4P/2005 predicts a minimum in the shear viscosity for the 273 K isotherm, a shift in the minimum toward lower pressures at 298 K, and its disappearance at 373 K.
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Cited by
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Sanz, E., Vega, C., Espinosa, J. R., Caballero-Bernal, R., Abascal, J. L. F., & Valeriani, C. (2013) · Journal of the American Chemical Society · doi:10.1021/ja4028814 · Cited by 334
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Cruz-Chu, E. R., Malafeev, A., Pajarskas, T., Pivkin, I. V., & Koumoutsakos, P. (2014) · Biophysical Journal · doi:10.1016/j.bpj.2013.09.060 · Cited by 87
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Metadata
- Authors
- González, M. A., & Abascal, J. L. F.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2010-03-03
- Volume
- 132
- Issue
- 9
- Pages
- 096101-096101
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2086381852
- Cited by
- 349
- References
- 0
- FWCI
- 11.67
- Type
- journal article
- Language
- en
- Open access
- closed
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