论文标题
水分子动力学和Stokes-Einstein方程的激活能
Activation energies of water molecular dynamics and Stokes-Einstein equation
论文作者
论文摘要
在从0°C到100°C的范围内，对自扩散系数（D）和动态粘度（Dη）激活能量的值和迹象的分析证实，水的分子动力学基于Endo和Exo hydogen offerem offlocection in of Hydogen offerection of Supramorecareculareculcoreculcorculcoreculareculcorecramecult offramorecareculcorect offerem offramocect。在25°C之前和之后，复杂特征Dη的线性近似系数TD与这些温度范围中水结构中普遍存在的簇大小的比率相关。该结果与Stokes-Einstein方程一致，并假设六边形冰样簇的分解在25°C附近完成。 TDD型Dη的可靠近似值通过Texp型（E/RT）的双峰函数来完善Stokes-Einstein方程。
An analysis of the values and signs of the activation energies of temperature dependences (TDs) of the self-diffusion coefficient (D) and dynamic viscosity (η) in the range from 0 °C to 100 °C confirmed that the molecular dynamics of water is based on the synergism of endo and exo reactions of rearrangement of hydrogen bonds in the supramolecular structure water. The ratio of linear approximation coefficients TD of the complex characteristic Dη before and after 25 °C correlates with the ratio of cluster sizes prevailing in the water structure in these temperature ranges. This result is consistent with the Stokes-Einstein equation and the hypothesis that the decomposition of hexagonal ice-like clusters is completed in the vicinity of 25 °C. A reliable approximation of the TD complex Dη by a bimodal function of type Texp (E/RT) was used to refine the Stokes-Einstein equation.
