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Supercooled Confined Water and the Mode Coupling Crossover Temperature
Open accessAbstract
We present a molecular dynamics study of the single-particle dynamics of supercooled water confined in a silica pore. Two dynamical regimes are found. Close to the hydrophilic substrate molecules are below the mode coupling crossover temperature, T(C), already at ambient temperature. The water closer to the center of the pore (free water) approaches upon supercooling T(C) as predicted by mode coupling theories. For free water the crossover temperature and crossover exponent gamma are extracted from power-law fits to both the diffusion coefficient and the relaxation time of the late alpha region.
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Cited by
Liu, L., Chen, S.-H., Faraone, A., Yen, C.-W., & Mou, C.-Y. (2005) · Physical Review Letters · doi:10.1103/physrevlett.95.117802 · Cited by 481
Fragile-to-strong liquid transition in deeply supercooled confined water
Faraone, A., Liu, L., Mou, C.-Y., Yen, C.-W., & Chen, S.-H. (2004) · The Journal of Chemical Physics · doi:10.1063/1.1832595 · Cited by 314
Youssef, M., Pellenq, R. J.-M., & Yildiz, B. (2011) · Journal of the American Chemical Society · doi:10.1021/ja107003a · Cited by 284
Molecular simulation of water confined in nanoporous silica
Bonnaud, P. A., Coasne, B., & Pellenq, R. J.-M. (2010) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/22/28/284110 · Cited by 182
Qomi, M. J. A., Bauchy, M., Ulm, F.-J., & Pellenq, R. J.-M. (2014) · The Journal of Chemical Physics · doi:10.1063/1.4864118 · Cited by 153
Metadata
- Authors
- Gallo, P., Rovere, M., & Spohr, E.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2000-11-13
- Volume
- 85
- Issue
- 20
- Pages
- 4317-4320
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2104385596
- Cited by
- 159
- References
- 0
- FWCI
- 9.91
- Type
- journal article
- Language
- en
- Open access
- green
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