ISIS Neutron and Muon Source Data Journal

This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.


Microscopic structure as an evidence for a new thermodynamic boundary in supercritical CO2: A comparison between experiments and theory

Abstract: Supercritical (sc) fluids have unique properties that have led to a rich variety of applications including production of essential oils and pharmaceutical products, green chemistry, formation of nano- and micro-particles, and waste treatment. The proposed work will examine the microscopic structure and molecular motion in supercritical (sc) CO2. The results from this work will provide the first experimental evidence for a structural crossover in a new dynamic line in the supercritical region of the phase diagram, the Frenkel line [1-2]. This work will be enhanced by the use of classical molecular dynamics to provide information on the rotational motion of scCO2.

Principal Investigator: Dr Sarantos Marinakis
Local Contact: Dr Tom Headen
Experimenter: Professor Alan Soper

DOI: 10.5286/ISIS.E.RB1720056

ISIS Experiment Number: RB1720056

Part DOI Instrument Public release date Download Link
10.5286/ISIS.E.90604957 NIMROD 26 February 2021 Download

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

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

For Example:
Dr Sarantos Marinakis et al; (2018): Microscopic structure as an evidence for a new thermodynamic boundary in supercritical CO2: A comparison between experiments and theory, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720056

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



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