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用于捕获多孔非均匀表面吸附摄取和能量分布的通用等温热力学模型。

A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface.

机构信息

King Abdullah University of Science and Technology, Thuwal, 23955-6900, Saudi Arabia.

出版信息

Sci Rep. 2017 Sep 6;7(1):10634. doi: 10.1038/s41598-017-11156-6.

Abstract

The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

摘要

吸附剂-吸附剂热力学很复杂,因为它受到孔径分布、表面不均匀性和位能分布以及吸附质性质的影响。这些参数共同定义了吸附质的吸收,形成了状态图,称为吸附等温线,当吸附位能在孔表面上有利时。迄今为止,用于描述蒸汽吸收或等温线的可用吸附模型是单独定义的,以与某种类型的等温线模式相关联。在开发这些等温线模型方面还没有一种通用的方法。在本文中,我们证明了当将修正的 Langmuir 模型与 Homotattic Patch Approximation (HPA) 的概念以及多个位能集及其各自的分数概率因子的可用性合并时,可以简洁地将所有吸附等温线类型的特征统一起来。在各种压力比 (P/P ) 下的总吸收量 (q/q*) 与位能分布方式密切相关,这些位能是自然存在的,或者是科学家通过工程手段在非均相表面上分布的。本文介绍了多孔非均相表面特性方面的信息,即吸附位的可用性,描述了每种等温线类型的独特行为。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ee6/5587542/131d362b482a/41598_2017_11156_Fig1_HTML.jpg

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