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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

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Authors

CG Pruteanu

IF Crowe

JS Loveday



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.

Citation

Proctor, J., Pruteanu, C., Morrison, I., Crowe, I., & Loveday, J. (2019). Transition from gas-like to liquid-like behavior in supercritical N2. Journal of Physical Chemistry Letters, 10(21), 6584-6589. https://doi.org/10.1021/acs.jpclett.9b02358

Journal Article Type Article
Acceptance Date Oct 11, 2019
Online Publication Date Oct 11, 2019
Publication Date Nov 7, 2019
Deposit Date Oct 17, 2019
Publicly Available Date Oct 11, 2020
Journal The Journal of Physical Chemistry Letters
Publisher American Chemical Society
Volume 10
Issue 21
Pages 6584-6589
DOI https://doi.org/10.1021/acs.jpclett.9b02358
Publisher URL https://doi.org/10.1021/acs.jpclett.9b02358
Related Public URLs https://pubs-acs-org.salford.idm.oclc.org/journal/jpclcd

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