Departamento de Quimica Fisica, Facultad de Quimica, Universidad Complutense de Madrid, 28040, Madrid, Spain.
Phys Rev Lett. 2011 Oct 7;107(15):155702. doi: 10.1103/PhysRevLett.107.155702. Epub 2011 Oct 3.
Simulations are used to investigate for the first time the anisotropy of the dielectric response and the effects of an applied electric field E(ex) on the phase diagram of water. In the presence of electric fields ice II disappears from the phase diagram. When E(ex) is applied in the direction perpendicular to the ac crystallographic plane the melting temperatures of ices III and V increase whereas that of ice Ih is hardly affected. Ice III also disappears as a stable phase when E(ex) is applied in the direction perpendicular to the ab plane. E(ex) increases by a small amount the critical temperature and reduces slightly the temperature of the maximum density of liquid water. The presence E(ex) modifies all phase transitions of water but its effect on solid-solid and solid-fluid transitions seems to be more important and different depending on the direction of E(ex).
首次利用模拟研究了介电响应各向异性以及外加电场 E(ex) 对水相图的影响。在电场存在的情况下,冰 II 从相图中消失。当 E(ex) 沿 ac 晶面垂直方向施加时,冰 III 和冰 V 的熔点升高,而冰 Ih 的熔点几乎不受影响。当 E(ex) 沿 ab 面垂直方向施加时,冰 III 也作为稳定相消失。E(ex) 略微增加了临界温度,并略微降低了最大密度液态水的温度。E(ex) 改变了水的所有相变,但它对固-固和固-液转变的影响似乎更重要,并且取决于 E(ex) 的方向而有所不同。