Estimation of Molecular Diffusivity in Liquid Phase Systems on the Basis of the Absolute Rate Theory
Estimation of Molecular Diffusivity in Liquid Phase Systems on the Basis of the Absolute Rate Theory
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DOI：
10.2116/analsci.29.467
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发表时间：
2013-04
影响因子：
1.6
通讯作者：
K. Miyabe;Ryo Isogai
中科院分区：
文献类型：
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作者：
K. Miyabe;Ryo Isogai
本研究关注的是液相系统中分子扩散率 (D_m) 的估计。不仅考虑了溶剂分子的聚集，还考虑了溶质分子的聚集，导出了基于扩散绝对速率理论的方程。还研究了用溶剂的分子量代替溶剂的摩尔体积如何影响估计 D _m 的准确性。将方程估计的 D _m 值与实验测量值进行比较。对于在甲醇和乙腈水溶液中测量的 217 个 D_m 数据，计算出 D_m 估计值的均方偏差约为 14%，这与 Wilke-Chang 方程获得的结果相当。然而，四氯化碳中某些溶质的 D _m 通过该方程比 Wilke-Chang 方程更准确地估算。预计本研究中提出的方程对于估计液相系统中的 D _m 是有效的。
This study was concerned about an estimation of molecular diffusivity ( D _m) in liquid phase systems. An equation based on the absolute rate theory of diffusion was derived by considering the aggregation of not only solvent molecules, but also solute molecules. It was also studied how the replacement of the molar volume of a solvent with its molecular weight influences the accuracy in estimating D _m. The values of D _m estimated by the equation were compared with those experimentally measured. The mean square deviation for the estimation of D _m was calculated as being about 14% for 217 D _m data measured in aqueous solutions of methanol and acetonitrile, which is comparable to that obtained by the Wilke-Chang equation. However, D _m of some solutes in carbon tetrachloride was more accurately estimated by this equation than by the Wilke-Chang equation. It is expected that the equation proposed in this study is effective for estimating D _m in liquid phase systems.