TY - JOUR
T1 - Water's two-critical-point scenario in the Ising paradigm
AU - Cerdeiriña, Claudio A.
AU - Troncoso, Jacobo
AU - González-Salgado, Diego
AU - Debenedetti, Pablo Gaston
AU - Stanley, H. Eugene
N1 - Publisher Copyright:
© 2019 Author(s).
PY - 2019/6/28
Y1 - 2019/6/28
N2 - We present a spin-1, three-state Ising model for the unusual thermodynamics of fluid water. Thus, besides vacant cells, we consider singly occupied cells with two accessible volumes in such a way that the local structures of low density, energy, and entropy associated with water's lowerature "icelike" order are characterized. The model has two order parameters that drive two phase transitions akin to the standard gas-liquid transition and water's hypothesized liquid-liquid transition. Its mean-field equation of state enables a satisfactory description of results from experiments and simulations for the ST2 and TIP4P/2005 force fields, from the phase diagram, the density maximum, or the deeply "stretched" states to the behavior of thermodynamic response functions at low temperatures at which water exists as a supercooled liquid. It is concluded that the model may be regarded as a most basic prototype of the so-called "two-critical-point scenario.
AB - We present a spin-1, three-state Ising model for the unusual thermodynamics of fluid water. Thus, besides vacant cells, we consider singly occupied cells with two accessible volumes in such a way that the local structures of low density, energy, and entropy associated with water's lowerature "icelike" order are characterized. The model has two order parameters that drive two phase transitions akin to the standard gas-liquid transition and water's hypothesized liquid-liquid transition. Its mean-field equation of state enables a satisfactory description of results from experiments and simulations for the ST2 and TIP4P/2005 force fields, from the phase diagram, the density maximum, or the deeply "stretched" states to the behavior of thermodynamic response functions at low temperatures at which water exists as a supercooled liquid. It is concluded that the model may be regarded as a most basic prototype of the so-called "two-critical-point scenario.
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U2 - 10.1063/1.5096890
DO - 10.1063/1.5096890
M3 - Article
C2 - 31255058
AN - SCOPUS:85068254885
SN - 0021-9606
VL - 150
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 24
M1 - 244509
ER -