Some considerations on the water polymorphism and the liquid-liquid transition by the density behavior in the liquid phase

被引:14
|
作者
Mallamace, Francesco [1 ,2 ]
Corsaro, Carmelo [3 ]
Mallamace, Domenico [3 ]
Fazio, Enza [3 ]
Chen, Sow-Hsin [1 ]
机构
[1] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA
[2] CNR, Ist Sistemi Complessi, I-00185 Rome, Italy
[3] Univ Messina, Dipartimento Sci Matemat & Inform Atiche Sci Fis, I-98166 Messina, Italy
来源
JOURNAL OF CHEMICAL PHYSICS | 2019年 / 151卷 / 04期
关键词
SUPERCOOLED WATER; ANOMALOUS BEHAVIOR; ICE; RELAXATION; RANGE; MODEL; COMPRESSIBILITY; SINGULARITY; DISPERSION; DIFFUSION;
D O I
10.1063/1.5095687
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
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页数:10
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