论文标题
评论:使用补偿的Arrhenius形式主义描述依赖温度的自扩散系数和醇的流动性
Comment on: Describing temperature-dependent self-diffusion coefficients and fluidity in alcohols using the compensated Arrhenius formalism
论文作者
论文摘要
在文章的补充信息(SI)中[A。 M. Fleshman,G。E。Forsythe,M。Petrowsky,R。Frech,J。Phys。化学b 2016,120,37,9959-68]给出了多含水醇的介电和动态性能的温度依赖性(TDS),以及使用补偿的Arrhenius形式主义(CAF)获得的激活能(EA)。作者将CAF作为一种方法提供了对运输过程的分子水平性质的物理意义。但是,CAF逻辑在物理上是不足的,使用CAF对TDS多氢醇的分析不能提供具有物理上显着的相关性,可用于理解流体动力学的分子机制。但是,可以通过应用物理上足够的液体TDS特性的Arrhenius近似来获得SI的这种相关性[A. Kholmanskiy,N。Zaytseva,J。Mol。 Liq。 275(2019)741-8]。
In Supplemental Information (SI) to the article [A. M. Fleshman, G. E. Forsythe, M. Petrowsky, R. Frech, J. Phys. Chem. B 2016, 120, 37, 9959-68] the temperature dependences (TDs) of the dielectric and dynamic properties of polyhydric alcohols, as well as the activation energy (Ea) obtained using the compensated Arrhenius formalism (CAF) are given. The authors present CAF as an approach provides physical significance into the molecular level nature of the transport process. However, the CAF logic is physically inadequate and analysis of TDS polyhydric alcohols using CAF cannot provide physically significant correlations useful for understanding the molecular mechanisms of fluid dynamics. However, such correlations from SI can be obtained by applying physically adequate Arrhenius approximations of TDs properties of liquids [A. Kholmanskiy, N. Zaytseva, J. Mol. Liq. 275 (2019) 741-8].