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High temperature behavior of water inside flat graphite nanochannels

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High temperature behavior of water inside flat graphite nanochannels.pdf (86.03Kb)
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http://hdl.handle.net/10433/920
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Authorship
Gordillo, M.C.Autoridad UPO Orcid Dialnet Scopus; Martí, J.
Palabras clave
High temperatures
Water
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Publication date
2007-02
Abstract
By means of molecular dynamics calculations performed at high temperatures, we were able to calculate the phase diagram of liquid water confined inside narrow graphite channels. We found stable liquid phases all the way to 398K, failing to reach the critical temperature for all of the systems under consideration. We also analyzed how the temperature variations in the range of 298 to 398K affected the hydrogen bond network and found that the main variation in the infrared spectra of confined water at high temperatures was the forward shifting of the bending peak.
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BIBLIOTECA CRAI  ©  2015 Universidad Pablo de Olavide
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