3 years ago

Recyclable ammonia uptake of a MIL series of metal-organic frameworks with high structural stability

Recyclable ammonia uptake of a MIL series of metal-organic frameworks with high structural stability
Metal-organic frameworks (MOFs) have been rapidly developed in the fields of gas adsorption and storage, but are unsatisfactory in NH3 adsorption due to their unstable structures. Considering NH3 is both a toxic gas and the only carbon-free chemical energy carrier, MOFs exhibit great prospects for the adsorption and storage of NH3 due to their advantages of structural diversity, modifiable structures and high surface area. In this work, we have researched, in detail, the structural characteristics, stability and NH3 adsorption properties of MIL-53, NH2-MIL-53, MIL-100 and MIL-101. In addition, the NH3 adsorption sites have been investigated using Grand canonical Monte Carlo simulations. The results showed that MIL-100 and MIL-101 have a large NH3 uptake of 8 mmol/g and 10 mmol/g, respectively, and that the modified amino functional groups improve the NH3 adsorption capacity in NH2-MIL-53. More importantly, the four MIL materials have reusable NH3 uptake and excellent NH3 (and NH3/H2O) stability, and are promising materials for NH3 adsorption.

Publisher URL: www.sciencedirect.com/science

DOI: S1387181117306170

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