4 years ago

Liquid–Liquid Equilibrium and Interfacial Tension of Hexane Isomers–Methanol Systems

Liquid–Liquid Equilibrium and Interfacial Tension of Hexane Isomers–Methanol Systems
Patrick Zimmermann, Tim Zeiner, Sabine Enders, Andreas Danzer, Thomas Goetsch, Katrin Kissing, Amelie Köhler
Liquid–liquid equilibrium (LLE) and therefore interfacial tension are highly dependent on molecular architecture. In processes, where branched molecules are involved, these properties often cannot be measured; therefore, there is a need for thermodynamic modeling to make these properties accessible. A methodology, which allows for the prediction of liquid–liquid equilibria of systems containing branched molecules, was developed recently, where the lattice cluster theory is combined with the chemical association lattice model. In this contribution, it was proved whether the methodology can consider small changes in molecular architecture. Therefore, binary LLE of methanol and four hexane isomers were estimated and predicted. All predicted LLE showed a very good agreement with the experimental data. Additionally, the interfacial tension and interfacial concentration profiles were estimated for the investigated systems and calculated by the density gradient theory. For that, its influence parameter was adjusted to a single data point.

Publisher URL: http://dx.doi.org/10.1021/acs.iecr.7b02099

DOI: 10.1021/acs.iecr.7b02099

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.