Structure of polyaromatic hydrocarbons in solution


Polyaromatic hydrocarbons (PAHs) are small disk shaped molecules that are important to a number of active research areas. These include natural systems, such as asphaltenes, the heaviest fraction of crude oil, but also novel materials, such as discotic liquid crystals and nano-carbon solutions. They tend to aggregate through stacking of the disks – in the example of asphaltenes this can lead to numerous problems including loss of solubility, and subsequent deposition of blocking of pipelines. Here we study two small PAHs – naphthalene and phenanthrene – dissolved in benzene. This will further our fundamental understanding of how these important class of molecules dissolve and how they are structured in solution. The data will also provide important benchmark data for the numerous groups who study these systems through molecular simulation.

Metadata Access
Creator Mr Maziar Fayaz-Torshizi; Mr Nadir Basma; Dr Tristan Youngs; Dr Chris Howard; Dr Neal Skipper; Dr Tom Headen; Professor Erich Muller
Publisher ISIS Neutron and Muon Source
Publication Year 2019
Rights CC-BY Attribution 4.0 International;
OpenAccess true
Contact isisdata(at)
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2016-02-19T09:00:00Z
Temporal Coverage End 2016-02-23T09:00:00Z