论文标题
液体水和醇的氢键和动力学
Hydrogen bonds and dynamics of liquid water and alcohols
论文作者
论文摘要
使用改良的Arrhenius近似值，确定了负责其动态和介电特性温度依赖的水，醇和己烷结构重排反应的激活能。范德华（Van der Waals）和带电的水和酒精分子中心的相互作用调节分子的平移和旋转运动，以确保液体局部结构变化的放热和热热反应的协调和平衡。氢键波动偶极的远程作用及其通过热能引起的共振激发是水性能的温度依赖性异常的基础，并在273 K和298 K点上引发其相变。由IH冰的六角形簇构成的氢键网络组成的水。
Using modified Arrhenius approximations, the activation energies of water, alcohols, and hexane structure rearrangement reactions responsible for temperature dependences of their dynamic and dielectric characteristics were determined. The interactions of van der Waals and charged centers of water and alcohol molecules regulate translational and rotational motion of molecules, ensuring coordination and balance of thermal effects of exothermic and endothermic reactions of changes in local structure of liquid. The long range action of fluctuating dipoles of hydrogen bonds and their resonant excitation by thermal energy underlies the anomalies in temperature dependences of water properties and initiates its phase transitions at points 273 K and 298 K. The deviation of the molecular dynamics of water from Arrhenius and Stokes Einstein equations in range from 273 to 298 K was associated with a high contribution of collective dynamics of ice like phase of water consisting of a network of hydrogen bonds structured by hexagonal clusters of Ih ice.
