On the physical mechanisms underlying single molecule dynamics in simple liquids

Abstract Physical arguments and comparisons with published experimental data suggest that in simple liquids: (i) single-molecule-scale viscous forces are produced by temperature-dependent London dispersion forces, (ii) viscosity decay with increasing temperature reflects electron cloud compression a...

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Autores principales:	Russell G. Keanini, Jerry Dahlberg, Peter T. Tkacik
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/52baabd88c80482d8f5ef4993f5c756f
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spelling	oai:doaj.org-article:52baabd88c80482d8f5ef4993f5c756f2021-12-02T14:16:34ZOn the physical mechanisms underlying single molecule dynamics in simple liquids10.1038/s41598-021-82112-82045-2322https://doaj.org/article/52baabd88c80482d8f5ef4993f5c756f2021-01-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-82112-8https://doaj.org/toc/2045-2322Abstract Physical arguments and comparisons with published experimental data suggest that in simple liquids: (i) single-molecule-scale viscous forces are produced by temperature-dependent London dispersion forces, (ii) viscosity decay with increasing temperature reflects electron cloud compression and attendant suppression of electron screening, produced by increased nuclear agitation, and (iii) temperature-dependent self-diffusion is driven by a narrow band of phonon frequencies lying at the low-frequency end of the solid-state-like phonon spectrum. The results suggest that collision-induced electron cloud distortion plays a decisive role in single molecule dynamics: (i) electron cloud compression produces short-lived repulsive states and single molecule, self-diffusive hops, while (ii) shear-induced distortion generates viscosity and single-molecule-scale viscous drag. The results provide new insight into nonequilibrium molecular dynamics in nonpolar, nonmetallic liquids.Russell G. KeaniniJerry DahlbergPeter T. TkacikNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-18 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Russell G. Keanini Jerry Dahlberg Peter T. Tkacik On the physical mechanisms underlying single molecule dynamics in simple liquids
description	Abstract Physical arguments and comparisons with published experimental data suggest that in simple liquids: (i) single-molecule-scale viscous forces are produced by temperature-dependent London dispersion forces, (ii) viscosity decay with increasing temperature reflects electron cloud compression and attendant suppression of electron screening, produced by increased nuclear agitation, and (iii) temperature-dependent self-diffusion is driven by a narrow band of phonon frequencies lying at the low-frequency end of the solid-state-like phonon spectrum. The results suggest that collision-induced electron cloud distortion plays a decisive role in single molecule dynamics: (i) electron cloud compression produces short-lived repulsive states and single molecule, self-diffusive hops, while (ii) shear-induced distortion generates viscosity and single-molecule-scale viscous drag. The results provide new insight into nonequilibrium molecular dynamics in nonpolar, nonmetallic liquids.
format	article
author	Russell G. Keanini Jerry Dahlberg Peter T. Tkacik
author_facet	Russell G. Keanini Jerry Dahlberg Peter T. Tkacik
author_sort	Russell G. Keanini
title	On the physical mechanisms underlying single molecule dynamics in simple liquids
title_short	On the physical mechanisms underlying single molecule dynamics in simple liquids
title_full	On the physical mechanisms underlying single molecule dynamics in simple liquids
title_fullStr	On the physical mechanisms underlying single molecule dynamics in simple liquids
title_full_unstemmed	On the physical mechanisms underlying single molecule dynamics in simple liquids
title_sort	on the physical mechanisms underlying single molecule dynamics in simple liquids
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/52baabd88c80482d8f5ef4993f5c756f
work_keys_str_mv	AT russellgkeanini onthephysicalmechanismsunderlyingsinglemoleculedynamicsinsimpleliquids AT jerrydahlberg onthephysicalmechanismsunderlyingsinglemoleculedynamicsinsimpleliquids AT peterttkacik onthephysicalmechanismsunderlyingsinglemoleculedynamicsinsimpleliquids
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On the physical mechanisms underlying single molecule dynamics in simple liquids

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