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Tests of the Stokes-Einstein Relation through the Shear Viscosity Activation Energy of Water
- Source :
- The journal of physical chemistry. B. 123(27)
- Publication Year :
- 2019
-
Abstract
- A method for calculating the activation energy for the shear viscosity of a liquid from simulations at a single temperature is demonstrated. Importantly, the approach provides a route to the rigorous decomposition of the activation energy into contributions due to different motions and interactions, e.g., kinetic, Coulombic, and Lennard-Jones energies, that are otherwise not accessible. The method is illustrated by application to the case of liquid water under ambient conditions. The shear viscosity activation energy and its components are examined and compared to the analogous results for the time scales of diffusion and reorientation that have been previously calculated, providing a test of the Stokes-Einstein relation for water.
- Subjects :
- Physics
010304 chemical physics
Shear viscosity
Activation energy
Mechanics
010402 general chemistry
01 natural sciences
0104 chemical sciences
Surfaces, Coatings and Films
Condensed Matter::Soft Condensed Matter
Physics::Fluid Dynamics
Stokes einstein
0103 physical sciences
Materials Chemistry
Physical and Theoretical Chemistry
Subjects
Details
- ISSN :
- 15205207
- Volume :
- 123
- Issue :
- 27
- Database :
- OpenAIRE
- Journal :
- The journal of physical chemistry. B
- Accession number :
- edsair.doi.dedup.....b8c11793895b940ecb42f180a192091d