5 years ago

N2 Capture Performances of the Hybrid Porous MIL-101(Cr): From Prediction toward Experimental Testing

N2 Capture Performances of the Hybrid Porous MIL-101(Cr): From Prediction toward Experimental Testing
Seung-Joon Lee, Jong-San Chang, Youn-Sang Bae, Young Kyu Hwang, Guillaume Maurin, Ji Woong Yoon, Renjith S. Pillai
The purification of nitrogen-containing gas mixtures, natural/shale gas, and dry air calls for economically viable adsorptive separation processes involving an adsorbent with a higher affinity for N2 over hydrocarbons and oxygen. This led to the discovery of a new class of unprecedented N2-selective metal–organic frameworks (MOFs) with coordinatively unsaturated chromium(III) sites, e.g., MIL-100(Cr) (MIL: Materials of Institut Lavoisier). Following this preliminary study, here grand canonical Monte Carlo simulations identified MIL-101(Cr), an analogue of MIL-100(Cr), as another N2-selective adsorbent from mixtures of both CH4–N2 (natural gas purification) and O2–N2 (air purification). This prediction was further compared to single gas adsorption and breakthrough separation experiments. It was evidenced that only the more energetic coordinatively unsaturated chromium sites released using an activation temperature of 523 K are responsible for the N2-selective behavior of MIL-101(Cr). The separation mechanisms were then elucidated at the molecular-level, and this emphasized the central role played by the concentration of coordinatively unsaturated chromium(III) sites in MIL-101(Cr) that can be controlled by the activation temperature of the sample.

Publisher URL: http://dx.doi.org/10.1021/acs.jpcc.7b07029

DOI: 10.1021/acs.jpcc.7b07029

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.