Brovchenko I, Oleinikova A
Physical Chemistry, University of Dortmund, Otto-Hahn-Str. 6, Dortmund D-44227, Germany.
J Chem Phys. 2007 Jun 7;126(21):214701. doi: 10.1063/1.2734963.
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.
我们报告了在模拟中对过冷受限水的两个液相之间相变的观察结果。由于在疏水孔中的受限作用，零压力下水的液-液转变温度略有降低。亲水性受限作用则以相反的方向影响该温度，并将液-液转变的临界点转移到更高的压力。结果，在强亲水性孔中，液-液相变在零压力下变得连续，表明其临界点从负压转移到了正压。这些发现表明，对各种疏水性/亲水性孔中受限水的实验研究可能会阐明 bulk water 的液-液临界点的位置。 （注：“bulk water”直译为“本体水”，在中文语境下表述稍显生硬，可根据具体情况进一步优化表述，但按要求此处未做调整）
