Reviews of topical problems

Collective contributions to self-diffusion in liquids

Mechnikov Odessa National University, Dvoryanskayast. 2, Odessa, 65026, Ukraine

The present work is devoted to describing the current state of the collective transport theory in liquids. In this connection, the results of MD-modeling of the root mean square displacement and the velocity autocorrelation function of a molecule (VACFM) at large enough times are discussed. The characteristic function allowing one to estimate the relative value of collective contributions to the self-diffusion coefficient is introduced and studied in detail. Low-frequency spectra of the VACFM are used to determine the Maxwell relaxation time, playing the key role in the approach presented. The possibility of determining the binodal and spinodal positions by the temperature dependences of self-diffusion coefficients on isochores is considered.

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Keywords: self-diffusion, collective effects, velocity autocorrelation function, metastable states, spinodal
PACS: 61.20.Lc, 61.20.Ne, 66.20.−d, 66.30.jj (all)
DOI: 10.3367/UFNe.2020.05.038759
Citation: Malomuzh N P, Shakun K S "Collective contributions to self-diffusion in liquids" Phys. Usp. 64 157–174 (2021)
BibTexBibNote ® (generic)BibNote ® (RIS) MedlineRefWorks
PT Journal Article
TI Collective contributions to self-diffusion in liquids
AU Malomuzh N P
FAU Malomuzh NP
AU Shakun K S
FAU Shakun KS
DP 10 Feb, 2021
TA Phys. Usp.
VI 64
IP 2
PG 157-174
RX 10.3367/UFNe.2020.05.038759
SO Phys. Usp. 2021 Feb 10;64(2):157-174

Received: 26th, December 2019, revised: 26th, April 2020, 5th, May 2020

:   ,    « » 191 163–181 (2021); DOI: 10.3367/UFNr.2020.05.038759

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