论文标题

杂种模型,用于估计多孔材料中正质体寿命的毛孔大小

A hybrid model for estimation of pore size from ortho-positronium lifetimes in porous materials

论文作者

Tuyen, L. Anh, Xuan, T. Dong, Kiet, H. A. Tuan, Cuong, L. Chi, Phuc, P. Trong, Tap, T. Duy, Dinh, Van-Phuc, Nguyen, L. Ly, Hue, N. T. Ngoc, Hue, P. Thi, Son, L. Thai, Van Hoang, D., Long, N. Hoang, Hung, N. Quang

论文摘要

本文提出了一个新型模型,用于估计基于各种实验性正质体($ o $ $ -PS)寿命数据的分析多孔材料的自由体大小。该模型是通过将半古典(SE)物理模型组合在大毛孔区域(毛孔尺寸$ r> 1 nm)和常规的Tao-Eldrup(TE)模型的区域中来得出的,该模型仅适用于天线($ r <$ 1 nm)。因此,所提出的称为混合(HYB)模型的模型能够平稳地连接孔的两个区域中的$ o $ -PS寿命。此外,通过引入$ o $ -PPS扩散概率参数($ d $),HYB模型在整个孔径的实验$ O $ -PS寿命中都很好地复制了。与最新的矩形TE(RTE)和东京模型相比,它与实验数据的一致性甚至更好。特别是,通过调整$ d $的值,HYB模型还可以很好地描述了带有球形和频道几何形状的毛孔中两组定义的实验$ O $ -PS寿命。与先前建议的模型相比,本模型的优点是,它适用于大多数具有不同几何形状的多孔材料的通用范围0.2-400 $ nm的孔径。

The present paper proposes a novel model for estimating the free-volume size of porous materials based on the analysis of various experimental ortho-positronium ($o$-Ps) lifetime data. The model is derived by combining the semi-classical (SE) physics model, which works in the region of large pores (pore size $R >$ 1 nm), with the conventional Tao-Eldrup (TE) model, which is applicable only for the small-pore region ($R <$ 1 nm). Thus, the proposed model, called the hybrid (HYB) model, is able to smoothly connect the $o$-Ps lifetimes in the two regions of the pore. Moreover, by introducing the $o$-Ps diffusion probability parameter ($D$), the HYB model has reproduced quite well the experimental $o$-Ps lifetimes in the whole region of pore sizes. It is even in a better agreement with the experimental data than the most up-to-date rectangular TE (RTE) and Tokyo models. In particular, by adjusting the value of $D$, the HYB model can also describe very well the two defined sets of experimental $o$-Ps lifetimes in the pores with spherical and channel geometries. The merit of the present model, in comparison with the previously proposed ones, is that it is applicable for the pore size in the universal range of $0.2 - 400$ nm for most of porous materials with different geometries.

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