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Tracer diffusion in a simple liquid

Technical Report:

Abstract

A simple model is used to calculate the tracer diffusion in a Lennard-Jones tracer-solvent system. The influence of the size ratio between tracer and solvent, and of their mass ratio on the tracer diffusivity is investigated. The adopted model, proposed by Tankeshwar et al., is based on the idea, put forward by Zwanzing, of separating the configurational space of fluid system into a vibrational part and a structural part. The results offer an interpretation of the molecular dynamics data showing a positive deviation from Stokes-Einstein behaviour for small size of the tracer. The deviation is explicitly related to the length parameter of tracer-solvent interaction. The calculated values of the tracer diffusion coefficients for a large range of its size and mass values are quite satisfactory as judged by comparison with simulation results. (author). 12 refs, 4 figs, 1 tab.
Publication Date:
Jun 01, 1991
Product Type:
Technical Report
Report Number:
IC-91/136
Reference Number:
SCA: 664000; PA: AIX-22:081706; SN: 91000608870
Resource Relation:
Other Information: PBD: Jun 1991
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; BINARY MIXTURES; SELF-DIFFUSION; LIQUIDS; LENNARD-JONES POTENTIAL; SOLUTES; SOLVENTS; 664000; ATOMIC AND MOLECULAR PHYSICS
OSTI ID:
10104774
Research Organizations:
International Centre for Theoretical Physics (ICTP), Trieste (Italy)
Country of Origin:
IAEA
Language:
English
Other Identifying Numbers:
Other: ON: DE92609181; TRN: XA9129657081706
Availability:
OSTI; NTIS (US Sales Only); INIS
Submitting Site:
INIS
Size:
18 p.
Announcement Date:
Jun 30, 2005

Technical Report:

Citation Formats

Tankeshwar, K, and Ould-Kaddour, F. Tracer diffusion in a simple liquid. IAEA: N. p., 1991. Web.
Tankeshwar, K, & Ould-Kaddour, F. Tracer diffusion in a simple liquid. IAEA.
Tankeshwar, K, and Ould-Kaddour, F. 1991. "Tracer diffusion in a simple liquid." IAEA.
@misc{etde_10104774,
title = {Tracer diffusion in a simple liquid}
author = {Tankeshwar, K, and Ould-Kaddour, F}
abstractNote = {A simple model is used to calculate the tracer diffusion in a Lennard-Jones tracer-solvent system. The influence of the size ratio between tracer and solvent, and of their mass ratio on the tracer diffusivity is investigated. The adopted model, proposed by Tankeshwar et al., is based on the idea, put forward by Zwanzing, of separating the configurational space of fluid system into a vibrational part and a structural part. The results offer an interpretation of the molecular dynamics data showing a positive deviation from Stokes-Einstein behaviour for small size of the tracer. The deviation is explicitly related to the length parameter of tracer-solvent interaction. The calculated values of the tracer diffusion coefficients for a large range of its size and mass values are quite satisfactory as judged by comparison with simulation results. (author). 12 refs, 4 figs, 1 tab.}
place = {IAEA}
year = {1991}
month = {Jun}
}