ISIS Neutron and Muon Source Data Journal

Modelling Intermolecular Interactions and Thermodynamic Properties of Naphthalene at High Pressure

Abstract: Equations of state (EoSs) show how the thermodynamic variables of temperature, pressure and volume are inter-related. The ideal gas law, PV = nRT, is an example of an EoS which is used as a simple but effective model to explain the properties of gases. EoSs can also be applied to solids, where they can be used to show how energy changes when the solid experiences dramatic changes in its environment, which occur for example on the surfaces of planets and their moons. In this beamtime we will derive the EoS of naphthalene, a simple model for the polyaromatic hydrocarbons which are thought to be the repository for most of the carbon in the Universe. The results will be used to reveal the changes in different contributions to the thermodynamic properties of naphthalene which occur in response to compression, showing quantitatively how the intermolecular interactions ‘absorb’ pressure.

Principal Investigator: Professor Simon Parsons
Local Contact: Dr Nicholas Funnell
Experimenter: Professor Konstantin Kamenev
Experimenter: Professor Garry McIntyre
Experimenter: Dr Helen Maynard-Casely
Experimenter: Miss Giulia Novelli

DOI: 10.5286/ISIS.E.RB1820343

ISIS Experiment Number: RB1820343

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:
Professor Simon Parsons et al; (2018): Modelling Intermolecular Interactions and Thermodynamic Properties of Naphthalene at High Pressure, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1820343

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