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一种用于定制设计多孔表面材料表征的通用数学方法。

A Universal Mathematical Methodology in Characterization of Materials for Tailored Design of Porous Surfaces.

作者信息

Burhan Muhammad, Akhtar Faheem Hassan, Chen Qian, Shahzad Muhammad Wakil, Ybyraiymkul Doskhan, Ng Kim Choon

机构信息

Water Desalination and Reuse Centre (WDRC), Biological and Environmental Science & Engineering, King Abdullah University of Science and Technology (KAUST), Thuwal, Saudi Arabia.

Department of Mechanical and Construction Engineering, Northumbria University, Newcastle upon Tyne, United Kingdom.

出版信息

Front Chem. 2021 Jan 26;8:601132. doi: 10.3389/fchem.2020.601132. eCollection 2020.

DOI:10.3389/fchem.2020.601132
PMID:33575247
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7870507/
Abstract

Understanding adsorption phenomena is essential to optimize and customize the energy transformation in numerous industrial and environmental processes. The complex and heterogeneous structure of the adsorbent surface and the distinct interaction of adsorbent-adsorbate pairs are attributed to the diverse response of adsorption phenomena, measured by the state diagrams of adsorption uptake known as adsorption isotherms. To understand various forms of adsorption isotherms, the surface characteristics of the adsorbent surface with the heterogeneity of adsorption energy sites must be analyzed so that they can be modified for the tailored response of the material. Conventionally, such material synthesis is based on chemical recipes or post-treatment. However, if the adsorbent's surface characteristics and heterogeneity are known, then a directed change in the material structure can be planned for the desired results in the adsorption processes. In this paper, a theoretical and mathematical methodology is discussed to analyze the structure of various adsorbents in terms of the distribution of their adsorption energy sites. The change in their surface is then analyzed, which results in the tailored or customized response of the material.

摘要

理解吸附现象对于优化和定制众多工业和环境过程中的能量转换至关重要。吸附剂表面复杂且不均匀的结构以及吸附剂 - 吸附质对之间独特的相互作用,导致了吸附现象的多样化响应,这种响应通过被称为吸附等温线的吸附量状态图来衡量。为了理解各种形式的吸附等温线,必须分析具有吸附能位点异质性的吸附剂表面的特性,以便对其进行改性,使材料产生定制化响应。传统上,这种材料合成基于化学配方或后处理。然而,如果吸附剂的表面特性和异质性已知,那么就可以针对吸附过程中的预期结果规划材料结构的定向变化。本文讨论了一种理论和数学方法,用于根据各种吸附剂吸附能位点的分布来分析其结构。然后分析其表面变化,从而实现材料的定制化或量身定制的响应。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f14b/7870507/aa7d5652c635/fchem-08-601132-g0010.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f14b/7870507/e8b76773d10f/fchem-08-601132-g0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f14b/7870507/0ec6b693f798/fchem-08-601132-g0007.jpg
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