High-Temperature Water Adsorption Isotherms and Ambient Temperature Water Diffusion Rates on Water Harvesting Metal–Organic Frameworks

吸附 扩散 金属有机骨架 材料科学 金属 化学工程 热力学 化学 冶金 物理化学 物理 工程类
作者
J. B. Hastings,Thomas Lassitter,Zhiling Zheng,Saumil Chheda,J. Ilja Siepmann,Laura Gagliardi,Omar M. Yaghi,T. Grant Glover
出处
期刊:Journal of Physical Chemistry C [American Chemical Society]
卷期号:128 (27): 11328-11339 被引量:1
标识
DOI:10.1021/acs.jpcc.4c01733
摘要

Water adsorption isotherms from 25 to 125 °C were measured for three metal–organic frameworks (MOFs), MOF-303, MOF-LA2-1, and MIL-100(Fe), which are frequently studied for water harvesting applications. The results show how the step in the water adsorption isotherm varies as a function of temperature and detail the combination of pressure and temperature necessary to remove adsorbed water. Furthermore, isobaric–isothermal Gibbs ensemble Monte Carlo simulations performed for MOF-303 shed light on the change in occupation numbers of the different known water adsorption sites with increasing temperature. Additionally, the diffusion rates of water through these materials were measured using concentration swing frequency response, and micropore diffusion was identified as the controlling mechanism. The Darken relation was used to show the dependence of the diffusion rate on the concentration and the impact of the adsorption isotherm slope. The adsorption of water on MOF-LA2-1 is faster than that on MIL-100(Fe). These data show that MOF-LA2-1 with its high-water adsorption capacity, quick adsorption rate, and favorable desorption energetics is a leading candidate for atmospheric water harvesting.
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