ISIS Neutron and Muon Source Data Journal

Structure of polyaromatic hydrocarbons in solution

Abstract: 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.

Principal Investigator: Dr Tom Headen
Experimenter: Mr Maziar Fayaz-Torshizi
Experimenter: Mr Nadir Basma
Local Contact: Dr Tristan Youngs
Experimenter: Dr Chris Howard
Experimenter: Professor Neal Skipper
Experimenter: Professor Erich Muller

DOI: 10.5286/ISIS.E.RB1610491

ISIS Experiment Number: RB1610491

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Tom Headen et al; (2016): Structure of polyaromatic hydrocarbons in solution, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1610491

Data is released under the CC-BY-4.0 license.