Double-walled Al-based MOF with large microporous specific surface area for trace benzene adsorption

Abstract

Abstract Double-walled metal-organic frameworks (MOFs), synthesized using Zn and Co, are potential porous materials for trace benzene adsorption. Aluminum is with low-toxicity and abundance in nature, in comparison with Zn and Co. Therefore, a novel double-walled Al-based MOF, named as ZJU-520(Al), with large microporous specific surface area of 2235 m2/g, pore size distribution in the range of 9.26 – 12.99 Å and excellent thermal-chemical stability, was synthesized in this study. ZJU-520(Al) is consisted by helical chain of AlO6 clusters and 4,6-Di(4-carboxyphenyl)pyrimidine ligands. It exhibits unprecedented trace benzene adsorption up to 5.98 mmol/g at 298 K and P/P0 = 0.01. Adsorbed benzene molecules are trapped on two types of sites. One (site I) is near the AlO6 clusters, another (site II) is near the N atom of ligands, using Grand Canonical Monte Carlo (GCMC) simulations. ZJU-520(Al) also can effectively separate trace benzene from mixed vapor flow of benzene and cyclohexane, due to the adsorption affinity of benzene higher than that of cyclohexane. Therefore, ZJU-520(Al) is a potential adsorbent for trace benzene adsorption and benzene/cyclohexane separation.