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Rheology based estimates of self- and collective diffusivities in viscous liquids.
- Source :
- Journal of Chemical Physics; 7/7/2021, Vol. 155 Issue 1, p1-5, 5p
- Publication Year :
- 2021
-
Abstract
- The self-diffusion coefficient of viscous liquids is estimated on the basis of a simple analysis of their rheological shear spectra. To this end, the Almond–West approach, previously employed to access single-particle diffusivities in ionic conductors, is generalized for application to molecular dynamics in supercooled liquids. Rheology based estimates, presented for indomethacin, ortho-terphenyl, and trinaphthylbenzene, reveal relatively small, yet systematic differences when compared with diffusivity data directly measured for these highly viscous liquids. These deviations are discussed in terms of mechanical Haven ratios, introduced to quantify the magnitude of collective translational effects that have an impact on the viscous flow. [ABSTRACT FROM AUTHOR]
- Subjects :
- SUPERCOOLED liquids
DIFFUSION coefficients
LIQUIDS
MOLECULAR dynamics
INDOMETHACIN
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 155
- Issue :
- 1
- Database :
- Complementary Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 151286459
- Full Text :
- https://doi.org/10.1063/5.0055811