Neon Adsorption on HKUST-1 and UiO-66 Metal–Organic Frameworks over Wide Pressure and Temperature Ranges

Abstract

Neon (Ne) is an expensive noble gas with commercial interest, which is why systems for Ne storage and delivery are useful tools for its more efficient utilization. Although adsorption-based technologies are potential candidates for the development of such systems, there have been few research efforts on the study of Ne adsorption equilibria on porous solids. Metal−organic frameworks (MOFs) are a recent class of promising porous materials for adsorptive gas storage. In the present work, Ne adsorption in two of the most well-known MOF materialsHKUST-1 and UiO-66has been evaluated experimentally over unusually wide pressure and temperature ranges: 0−70 bar, 77−400 K for HKUST-1 and 0−100 bar, 77−500 K for UiO-66. HKUST-1 has higher Ne adsorption capacity per unit weight than UiO-66, whereas per unit volume the two materials perform similarly. Moreover, the isosteric heats for Ne adsorption on HKUST-1 and UiO-66 have roughly the same order of magnitude (3−6 kJ/mol).

Prediction of Carbon Dioxide and Methane Adsorption on UiO-66 Metal–Organic Framework via Molecular Simulation

“…Classical forcefields, such as UFF, DREIDING, OPLS, and TraPPE, are commonly employed for these simulations. These forcefields have been previously employed with success to describe several MOFs, such as Cu-BTC, MOF-5, IRMOFs, and MIL materials, as evidenced by previous studies [26,29,[33][34][35][36][37].…”

“…It has been evaluated for the adsorption of hexane and xylene isomers [16,19,22,23], boron [24], arsenic [25], and diverse water contaminants [9]. UiO-66 has also been studied for gas storage [21] and, recently, it was studied for neon adsorption [26].…”

Molecular dynamics simulation of adsorption and separation of xylene isomers by Cu-HKUST-1

“…In this paper, we focus on the adsorption separation of ternary mixed xylene isomers by Cu-HKUST-1, a recent class of promising porous materials for adsorption of gas storage. 11 The structure of Cu-HKUST-1 is shown in Fig. 2(a) and (b) by VESTA version.3.5.7.…”

From 1D Coordination Polymers to Metal Organic Frameworks by the Use of 2-Pyridyl Oximes

“…The unique properties of MOFs and their structural tuneability [ 25 , 26 , 27 , 28 , 29 ] make these materials especially suitable for encapsulating a large variety of guest molecules, and hence they are promising candidates for a plethora of environmental and biomedical applications [ 30 , 31 , 32 , 33 , 34 , 35 ]. Restricting further discussion to the ability of MOFs to capture and remove toxic compounds from the environment, MOFs display all the desirable features in terms of water stability, porosity, and surface area, and can be used as alternate adsorbents for the adsorption and removal of toxic species [ 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 ]. In addition to their capturing capacity, MOFs often have sensing properties, which are based on the change to the physical properties caused by the encapsulated metal ion [ 48 , 49 ].…”