Journal of Physical Chemistry C
Journal of Physical Chemistry C
5 years ago

Nitrogen-Doped Nanoporous Carbons for Selective Separation of Ar/Kr/Xe/Rn Gases: An Experiment-Based Simulation Study

Nitrogen-Doped Nanoporous Carbons for Selective Separation of Ar/Kr/Xe/Rn Gases: An Experiment-Based Simulation Study
Dapeng Cao, Xiaofei Zeng, Fei Chen
It is still a challenge to find high-efficiency adsorbents for the separation of noble gases. In this work, we combine the grand canonical Monte Carlo (GCMC) simulation and adsorption integral equation to theoretically characterize the pore size distribution (PSD) of experimentally synthesized nitrogen-doped nanoporous carbon (Carbon-ZX) and further predict the selectivity of Carbon-ZX for Xe/Kr, Xe/Ar, and Rn/N2 mixtures. Results indicate that the selectivities of Carbon-ZX for Xe/Kr and Xe/Ar apparently are greater than that of other MOFs in the same conditions, which also is further confirmed by Henry’s constant and isosteric adsorption heat. Moreover, the Carbon-ZX for the Rn/N2 binary mixture shows the extremely high selectivity (about 800–1200) in the molar fraction XRn < 0.001, which means that Carbon-ZX is a promising candidate for indoor Rn capture. In short, this work provides a useful method to characterize the experimentally synthesized nanoporous materials and further explores their applications in adsorption and separation.

Publisher URL: http://dx.doi.org/10.1021/acs.jpcc.7b04213

DOI: 10.1021/acs.jpcc.7b04213

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.