On the transition from gas-like to liquid-like behaviour in supercritical N2

J. E. Proctor; C. G. Pruteanu; I. Morrison; I. F. Crowe; J. S. Loveday

doi:10.1021/acs.jpclett.9b02358

On the transition from gas-like to liquid-like behaviour in supercritical N2

J. E. Proctor, C. G. Pruteanu, I. Morrison, I. F. Crowe, J. S. Loveday

School of Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	6584-6589
Number of pages	6
Journal	The Journal of Physical Chemistry Letters
Volume	10
Issue number	21
Early online date	11 Oct 2019
DOIs	https://doi.org/10.1021/acs.jpclett.9b02358
Publication status	Published - 7 Nov 2019

Keywords

cond-mat.mtrl-sci
cond-mat.other

Access to Document

10.1021/acs.jpclett.9b02358

ManuscriptAccepted author manuscript, 933 KB

https://arxiv.org/abs/1909.12745

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Cite this

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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.",

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AU - Proctor, J. E.

AU - Pruteanu, C. G.

AU - Morrison, I.

AU - Crowe, I. F.

AU - Loveday, J. S.

N1 - Accepted for J. Phys. Chem. Lett. on 8th October 2019

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