4 years ago

Competitive Adsorption of CO2 over N2 in Asphaltene Slit Nanopores Studied by Molecular Simulation

Competitive Adsorption of CO2 over N2 in Asphaltene Slit Nanopores Studied by Molecular Simulation
Hui Zhao, Kai Zhang, Qiaozhi Wang, Na Qi, Haoyang Sun, Ying Li
CO2 capture and sequestration (CCS) is recognized as one of the most promising alternatives to weaken the greenhouse effect, and nanoporous materials are regarded as the promising candidates; therefore, developing a new cost-effective sorbent to achieve CCS is crucial. In this study, asphaltene-based slit nanopores were used to simulate capturing of CO2 from flue gas. The grand canonical Monte Carlo and molecular dynamics simulation methods were employed to examine the microscopic behaviors of CO2 and N2 in asphaltene slit nanopores. The isosteric heat of CO2 and N2 molecules adsorbed in asphaltene slit nanopores, the adsorption energy of a single molecule of CO2 and N2 adsorbed on the surface of asphaltene fragments, and the self-diffusion of CO2 and N2 molecules adsorbed in asphaltene slit nanopores were examined. Strong competitive adsorption of CO2 over N2 is found in a broad range of temperatures and pressures, and it was found that the temperature plays an important role on the competitive adsorption. This work demonstrates how the competitive adsorption of CO2 over N2 happened in asphaltene slit nanopores, which not only enriches the theoretical knowledge about gas behavior in asphaltenes but also gives the feasibility that the asphaltenes or asphaltene-based materials might be an interesting candidate for capturing CO2 from flue gas.

Publisher URL: http://dx.doi.org/10.1021/acs.energyfuels.7b02656

DOI: 10.1021/acs.energyfuels.7b02656

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.