液体分子自扩散系数的预测

Prediction of Self-diffusion Coefficients of Molecules in Liquids

基于液体层膜结构模型提出预测液体分子自扩散系数的方程,对24种液体在较宽温度范围内作了检验,平均偏差为3.8％。同时分析了层膜结构模型中位形参数ξ随温度和物质不同而变化的规律,这对了解液体的微观结构、扩散过程的机理和阐明层膜结构模型的合理性具有重要意义。

On the basis of the layer structure model of liquid, this paper presents an equation for predicting the self-diffusion coefficients of molecules in liquids. The equation has been tested with 24 liquids in a wide temperature range, with an average deviation of 3. 8%. The values of the configuration parameter ?which varies with the variation of temperatures and different substances were analyzed. This is of great importance for understanding the microstructure of the liquid and the mechanism of the diffusion processes, and for expounding the rationality of the layer structure model.