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

Proctor, JE; Pruteanu, CG; Morrison, I; Crowe, IF; Loveday, JS

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