水分子结构模式及液态固态水若干特征成因探讨  

Study on the structure model of water molecule and the reasons of formation of some characteristics of liquid & solid water

作　　者：濮培民[1] 濮江平[2] 朱政宾 

机构地区：[1]中国科学院南京地理与湖泊研究所,南京210008 [2]解放军理工大学气象海洋学院,南京211101 [3]阿德莱德大学

出　　处：《气象科学》2016年第5期567-580,共14页Journal of the Meteorological Sciences

摘　　要：水是包括海洋大气在内的地球生态系统中极重要又有很多特殊性的物质。其特性的成因尚远非清晰。本文提出一种水分子（H2O）结构及其固态液态水体的结构模式,探讨和模拟计算了其若干特征的成因,结果能较好符合实测值。（1）从氢（H）氧（O）原子结构和电子绕各原子核及相互绕行规律的等概率随机轨道中实现符合库伦力和开普勒运动规律的优势轨道耦合成平均状态稳定的准刚性的水分子结构。其核心是O原子与等距离分立其两侧的2个H原子构成的等腰三角形,其间距平方之比（H-H）2/（H-O）2=2.5;电子云活动空间为1个由4个等边三角形为面构成具有6个等长稜的正四面锥体结构水分子模式（可简称“水分子正锥体模式”）;该模式具有很大电偶极矩。（2）水分子的端点间在约0.27 nm距离内可以按“＋”“-”电荷吸引原则耦合。6个水分子将按正、负电荷对接耦合,连接成六边环形“壁”的“笼式隧道空间”,可容纳其他物质,无电荷显示,电导率极地。（3）在空气中0℃以下凝结冰晶时三维不对称,“薄片”的雪花形成概率更大,其形态也按自相似原则体现了水分子结构的六角六边六针形的特征。（4）液态水分子维持固态水冰的“冰/水笼”结构模式,但由于2个氢原子上的电子同时到达1个“-”电荷端的概率为1/11,当0℃以上部份水分子能摆脱框架水分子束缚后,可以再耦合一个从框架上“脱落”的“自由水分子”使其进入水笼,从而水容积缩小;固体冰和液态水的密度之比为11/12=0.916 667。自由水分子和水笼框架上的水分子可以随时互换（在10-5s时间尺度上）,并适应固体壁的形态,既是不可压缩,又有柔软、可变形特点;水在0100℃时的空/占比达2.28,模式可解译高温高压的水汽中检测到2.16 g·cm-3,水热传导系数很大,比热容量很大,有“异常”的U形特点,且�Water has extremely important meaning for earth bio-ecosystem, including oceanic and atmospheric ecosystem. A lot of characteristics of water had been discribed, but it is still far from clearly understanding about the reasons of their formation. This paper presents a model for water （H2O） molecule,the structure of ice, snow and liquid water as well, and the reasons of formation of their specific characteristics would be modeled and compared with observed data. （1） A stable quasi rigid molecule struture may be constructed by dominant trajectories of electrones round and between the H-O-H nucleus according to the laws of Columb＇s force and Kepler＇s movement rule. The core of the water molecule is a isosceles triangle with ratio of （H-H）2/（H-O）2=2.5, which would be surrounded by moving electrons and form a principle pyramid with four equilateral triangle planes and six equi-edges of 0.480 17 nm （＂a regular six equi-edges pyramid＂ model in short）. The water molecule has obvious dipole moment. （2） The H nucleus ＂＋＂ endpoints are able to attract and couple other water molecules in distance less than about 0.27 nm. The cage frame with six molecules as the ＂wall＂ and an empty ＂cave＂, it may restore other matters, but it may not bring about any electric charges, so the electric conductivity is extremely low. （3） A ＂sheet model＂ of sublination like the snowflake is the more common phenomenon below 0℃, because it has the self-simility with the hexagon-sexangle-six needle forms. （4） The liqued water has the structure of cage frame with six molecules as the ＂wall＂ in the solid ice, but because 1/11 possibility is available for double electrons to reach one endpoint of the pyramid with ＂-＂ charge, so when the temperature is above 0℃, a part of water molecules on the frame may possess the energy for separating from the frame, and will move into the cage/cave and be attracted at the corner of the frame, and becomes a ＂free water molecule＂. The total volum

关 键 词：水特性与水分子结构模式 水冰框架结构模式 雪花与水分子结构 液态水与固态水结构的差异 水的比热与水分子结构关系 自相似 

分 类 号：O469[理学—凝聚态物理]