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《Sci Rep》: 水中分子的体积、间距、排序、及密度

已有 2960 次阅读 2013-10-7 19:13 |个人分类:水之魂|系统分类:论文交流

http://www.nature.com/srep/2013/131021/srep03005/full/srep03005.html

Sci Rep, 3, 3005 (2013) DOI: 10.1038/srep03005


Abstract

Thestructural symmetry and molecular separation in water and ice remain uncertain.We present herewith a solution to unifying the density, the structure order andsymmetry, the size (H-O length dH), and the separation (dOO= dL + dH or the O:H length dL) of moleculespacking in water and ice in terms of statistic mean. This solution reconciles:i) the dL and the dH symmetrization of the O:H-O bond incompressed ice, ii) the dOO relaxationof cooling water and ice and, iii) the dOO expansion of a dimer andbetween molecules at water surface. With any one of the dOO, thedensity r(g×cm-3), the dL, and the dH, as aknown input, one can resolve the rest quantities using this solution that isprobing conditions or methods independent. We clarified that: i) liquid waterprefers statistically the mono-phaseof tetrahedrally-coordinated structure with fluctuation, ii) the low-densityphase (supersolid phase as it is strongly polarized with even lower density)exists only in regions consisting molecules with fewer than four neighbors and,iii) repulsion between electron pairs on adjacent oxygen atoms dictates thecooperative relaxation of the segmented O:H-O bond, which is responsible forthe performance of water and ice.


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