Some considerations on the water polymorphism and the liquid-liquid transition by the density behavior in the liquid phase
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作者:
Mallamace, Francesco
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MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA
CNR, Ist Sistemi Complessi, I-00185 Rome, ItalyMIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA
Mallamace, Francesco
[1
,2
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Corsaro, Carmelo
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Univ Messina, Dipartimento Sci Matemat & Inform Atiche Sci Fis, I-98166 Messina, ItalyMIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA
Corsaro, Carmelo
[3
]
Mallamace, Domenico
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Univ Messina, Dipartimento Sci Matemat & Inform Atiche Sci Fis, I-98166 Messina, ItalyMIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA
Mallamace, Domenico
[3
]
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Fazio, Enza
[3
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Chen, Sow-Hsin
[1
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机构:
[1] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA
[2] CNR, Ist Sistemi Complessi, I-00185 Rome, Italy
The bulk liquid water density data (rho) are studied in a very large temperature pressure range including also the glass phases. A thorough analysis of their isobars, together with the suggestions of recent thermodynamical studies, gives evidence of two crossovers at T-* and P-* above which the hydrogen bond interaction is unable to arrange the tetrahedral network that is at the basis of the liquid polymorphism giving rise to the low density liquid (LDL). The curvatures of these isobars, as a function of T, are completely different: concave below P-* (where maxima are) and convex above. In both the cases, a continuity between liquid and glass is observed with P-* as the border of the density evolution toward the two different polymorphic glasses (low and high density amorphous). The experimental data of the densities of these two glasses also show a markedly different pressure dependence. Here, on the basis of these observations in bulk water and by considering a recent study on the growth of the LDL phase, by decreasing temperature, we discuss the water liquid-liquid transition and evaluate the isothermal compressibility inside the deep supercooled regime. Such a quantity shows an additional maximum that is pressure dependent that under ambient conditions agrees with a recent X-ray experiment. In particular, the present analysis suggests the presence of a liquid-liquid critical point located at about 180 MPa and 197 K.
机构:
Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA
Boston Univ, Dept Phys, Boston, MA 02215 USAUniv Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA
机构:
Tokyo Inst Technol, Dept Chem, Grad Sch Sci & Engn, Meguro Ku, Tokyo 1528551, JapanTokyo Inst Technol, Dept Chem, Grad Sch Sci & Engn, Meguro Ku, Tokyo 1528551, Japan
Nagoe, Atsushi
Oguni, Masaharu
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Tokyo Inst Technol, Dept Chem, Grad Sch Sci & Engn, Meguro Ku, Tokyo 1528551, JapanTokyo Inst Technol, Dept Chem, Grad Sch Sci & Engn, Meguro Ku, Tokyo 1528551, Japan