TY - JOUR
T1 - Liquid-liquid immiscibility in pure fluids
T2 - Polyamorphism in simulations of a network-forming fluid
AU - Roberts, C. J.
AU - Panagiotopoulos, A. Z.
AU - Debenedetti, Pablo G.
N1 - Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 1996
Y1 - 1996
N2 - We report Monte Carlo simulations that show both vapor-liquid and closed-loop liquid-liquid equilibrium in a pure substance, for a model fluid that forms orientation-dependent intermolecular bonds. This is the first time that direct evidence of liquid-liquid immiscibility in a pure fluid has been found using exact methods. Because the model is formulated in terms of a tetrahedrally coordinated molecule, the results are relevant to a broad class of substances, particularly to the transitions between amorphous phases which are known to occur in H2O, SiO2, and GeO2.
AB - We report Monte Carlo simulations that show both vapor-liquid and closed-loop liquid-liquid equilibrium in a pure substance, for a model fluid that forms orientation-dependent intermolecular bonds. This is the first time that direct evidence of liquid-liquid immiscibility in a pure fluid has been found using exact methods. Because the model is formulated in terms of a tetrahedrally coordinated molecule, the results are relevant to a broad class of substances, particularly to the transitions between amorphous phases which are known to occur in H2O, SiO2, and GeO2.
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U2 - 10.1103/PhysRevLett.77.4386
DO - 10.1103/PhysRevLett.77.4386
M3 - Article
C2 - 10062525
AN - SCOPUS:0344255381
SN - 0031-9007
VL - 77
SP - 4386
EP - 4389
JO - Physical review letters
JF - Physical review letters
IS - 21
ER -