Transition from gas-like to liquid-like behavior in supercritical N2

Proctor, JE ORCID: https://orcid.org/0000-0003-3639-8295, Pruteanu, CG ORCID: https://orcid.org/0000-0001-6586-4115, Morrison, I ORCID: https://orcid.org/0000-0002-6886-1398, Crowe, IF ORCID: https://orcid.org/0000-0001-8797-3582 and Loveday, JS ORCID: https://orcid.org/0000-0003-3985-9982 2019, 'Transition from gas-like to liquid-like behavior in supercritical N2' , The Journal of Physical Chemistry Letters, 10 (21) , pp. 6584-6589.

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Abstract

We have studied in detail the transition from gas-like to rigid liquidlike 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.

Item Type: Article
Schools: Schools > School of Computing, Science and Engineering > Salford Innovation Research Centre
Journal or Publication Title: The Journal of Physical Chemistry Letters
Publisher: American Chemical Society
ISSN: 1948-7185
Related URLs:
Depositing User: JE Proctor
Date Deposited: 17 Oct 2019 14:19
Last Modified: 22 Apr 2020 08:10
URI: http://usir.salford.ac.uk/id/eprint/52737

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