Corresponding states interpretation of adsorption in gate-opening metal-organic framework Cu(dhbc)₂(4,4'-bpy)
Sarmishtha Sircar1, Sanhita Pramanik2, Jing Li2
1Department of Energy & Mineral Engineering, The Pennsylvania State University, University Park, PA 16802, USA.
Abstract:
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.
More Related Videos
Related Concept Videos
Valence Bond Theory
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Coordination Number and Geometry
Cycloaddition Reactions: MO Requirements for Thermal Activation
Adsorption Isotherms II
Adsorption Isotherms I


