Effect of confinement on the liquid-liquid phase transition of supercooled water.
We report on an observation of the phase transition between two liquid phases of supercooled confined water in simulations. The temperature of the liquid-liquid transition of water at zero pressure slightly decreases due to confinement in the hydrophobic pore. The hydrophilic confinement affects this temperature in the opposite direction and shifts the critical point of the liquid-liquid transition to a higher pressure. As a result, in a strongly hydrophilic pore the liquid-liquid phase transition becomes continuous at zero pressure, indicating the shift of its critical point from negative to a positive pressure. These findings indicate that experimental studies of water confined in the pores of various hydrophobicity/hydrophilicity may clarify the location of the liquid-liquid critical point of bulk water.
Brovchenko
I
I
Physical Chemistry, University of Dortmund, Otto-Hahn-Str. 6, Dortmund D-44227, Germany. brov@heineken.chemie.uni-dortmund.de
Oleinikova
A
A