3 years ago

Comparative structural analyses in four ionic liquid systems: the two low-q peaks of IL structure factor functions

Karina Shimizu, Carlos E. S. Bernardes, José N. Canongia Lopes

The unusual mesoscopic nature of ionic liquids can be investigated utilising the low-q range (2 ≤ q/nm−1 ≤ 18) of total and partial structure factor functions, S(q). The peak positions of the two most common low-q peaks – charged-ordering peak, COP and polar–non-polar peak, PNPP – are easy to interpret in terms of structural correlations within the IL systems. However, their relative intensities (existence or suppression) are not. In this study, molecular dynamics simulations were carried out to explore this issue for two pairs of ionic liquid systems: 1-octyl-3-methylimidazolium cations combined with either trifluorometylsulfonate or trifluorocarbonate anions; bis(trifluoromethylsulfonyl)imide anions combined either with 1-nonyl-3-methylimidazolium or 1-diglyme-3-methylimidazolium cations. The former pair compares similar systems with conspicuous or absent COPs; the latter pair contrasts two systems with prominent or suppressed PNPPs. In the first case COP suppression is achieved by the replacement of a heavier atom (sulphur) by a lighter one (carbon) at the charged moiety of the anion, whereas in the second case, PNPP suppression is caused by a lower degree of segregation between polar and non-polar domains.

Publisher URL: http://www.tandfonline.com/doi/full/10.1080/08927022.2017.1396329

DOI: 10.1080/08927022.2017.1396329

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.