Sircar Sarmishtha, Pramanik Sanhita, Li Jing, Cole Milton W, Lueking Angela D
Department of Energy & Mineral Engineering, The Pennsylvania State University, University Park, PA 16802, USA.
Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, NJ 08854, USA.
J Colloid Interface Sci. 2015 May 15;446:177-84. doi: 10.1016/j.jcis.2015.01.011. Epub 2015 Jan 13.
The "universal adsorption theory" (UAT) extends the principle of corresponding states for gas compressibility to describe the excess density of an adsorbed phase at comparable reduced conditions. The UAT helps to describe experimental trends and provide predictive capacity for extrapolation from one adsorption isotherm to that of a different adsorbate. Here, we extend the UAT to a flexible metal-organic framework (MOF) as a function of adsorbate, temperature, and pressure. When considered via the UAT, the adsorption capacity and GO pressure of multiple gases to Cu(dhbc)2(4,4'-bpy) [H2dhbc=2,5-dihydroxybenzoic acid, bpy=bipyridine] show quantifiable trends over a considerable temperature and pressure range, despite the chemical and structural heterogeneity of the adsorbent. Exceptions include quantum gases (such as H2) and prediction of maximum capacity for large and/or polar adsorbates. A method to derive the heat of gate opening and heat of expansion from experimental trends is also presented, and the parameters can be treated as separable and independent over the temperature and pressure range studied. We demonstrate the relationship between the UAT and the common Dubinin analysis, which was not previously noted.
“通用吸附理论”（UAT）扩展了气体压缩性的对应态原理，以描述在可比的对比条件下吸附相的过量密度。UAT有助于描述实验趋势，并为从一种吸附等温线外推到另一种吸附质的吸附等温线提供预测能力。在此，我们将UAT扩展到一种柔性金属有机框架（MOF），作为吸附质、温度和压力的函数。当通过UAT进行考虑时，尽管吸附剂存在化学和结构上的不均匀性，但多种气体对Cu(dhbc)2(4,4'-bpy) [H2dhbc = 2,5 - 二羟基苯甲酸，bpy = 联吡啶]的吸附容量和门控压力在相当大的温度和压力范围内呈现出可量化的趋势。例外情况包括量子气体（如H2）以及对大尺寸和/或极性吸附质最大容量的预测。还提出了一种从实验趋势推导门控开启热和膨胀热的方法，并且在所研究的温度和压力范围内，这些参数可被视为可分离且独立的。我们展示了UAT与常见的杜比宁分析之间的关系，这是之前未被注意到的。
