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Transition from Gas-like to Liquid-like Behavior in Supercritical N2

Proctor, JE; Pruteanu, CG; Morrison, I; Crowe, IF; Loveday, JS; (2019) Transition from Gas-like to Liquid-like Behavior in Supercritical N2. The Journal of Physical Chemistry Letters , 10 pp. 6584-6589. 10.1021/acs.jpclett.9b02358. Green open access

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Abstract

We have studied in detail the transition from gas-like to rigid liquid-like behavior in supercritical N2 at 300 K (2.4 TC). Our study combines neutron diffraction and Raman spectroscopy with ab initio molecular dynamics simulations. We observe a narrow transition from gas-like to rigid liquid-like behavior at ca. 150 MPa, which we associate with the Frenkel line. Our findings allow us to reliably characterize the Frenkel line using both diffraction and spectroscopy methods, backed up by simulation, for the same substance. We clearly lay out what parameters change, and what parameters do not change, when the Frenkel line is crossed.

Type: Article
Title: Transition from Gas-like to Liquid-like Behavior in Supercritical N2
Location: United States
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/acs.jpclett.9b02358
Publisher version: https://doi.org/10.1021/acs.jpclett.9b02358
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences
URI: https://discovery.ucl.ac.uk/id/eprint/10083326
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