甲苯
苯
介孔材料
吸附
杂原子
化学工程
多孔性
比表面积
化学
密度泛函理论
解吸
金属有机骨架
材料科学
催化作用
有机化学
计算化学
工程类
戒指(化学)
作者
Neda Haj Mohammad Hossein Tehrani,Masood S. Alivand,Ali Kamali,Mehdi D. Esrafili,Marzieh Shafiei-Alavijeh,Raziyeh Ahmadi,Mohammad Samipoorgiri,Omid Tavakoli,Alimorad Rashidi
标识
DOI:10.1016/j.jece.2023.109558
摘要
The modification of metal-organic frameworks (MOFs) for enhanced volatile organic compounds (VOCs) removal is a huge challenge. Therefore, it is of great importance to find a proper strategy to tune the porosity of MOFs and their VOCs removal performance. In this study, we report a novel seed-mediated synthesis strategy using a low-cost and heteroatom-rich carbon structure (MIC-COOH) to prepare hierarchical micro-mesoporous MIL-101(Cr). Different amounts of MIC-COOH were applied to investigate the efficiency of seed concentration on the fundamental specification of the created hierarchical MIL-101(Cr) and its benzene and toluene uptake. The results showed that the increase of MIC-COOH significantly enhanced the mesoporous volume in the MOF structure, resulting in the creation of large surface area (up to 2971.5 m2/g) and high pore volume (up to 2.21 cm3/g). [email protected]% nanostructure exhibited 235.3 ± 0.05 and 291.6 ± 0.04 wt% adsorption efficiency for benzene and toluene, respectively, which are ⁓3.0 and 4.1 times greater than those of pristine MIL-101(Cr). It also exhibited higher cyclic adsorption efficiency than that of the pristine MIL-101(Cr) after five consecutive adsorption-desorption cycles. The uptake behavior of benzene and toluene on the modified [email protected] structure was also perused by applying density functional theory (DFT) calculations. According to the findings, it was revealed that the cooperative charge transfers between MIL-101(Cr) and MIC-COOH through the structure can play an efficient role in the enhanced uptake of benzene and toluene molecules.
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