Temperature inversion of the thermal polarization of water
File(s)LH14914ER-modif.pdf (188.86 KB)
Accepted version
Author(s)
Armstrong, J
Bresme, F
Type
Journal Article
Abstract
Temperature gradients polarize water, a nonequilibrium effect that may result in significant electrostatic fields for strong thermal gradients. Using nonequilibrium molecular dynamics simulations, we show that the thermal polarization features a significant dependence with temperature that ultimately leads to an inversion phenomenon, whereby the polarization field reverses its sign at a specific temperature. Temperature inversion effects have been reported before in the Soret coefficient of aqueous solutions, where the solution changes from thermophobic to thermophilic at specific temperatures. We show that a similar inversion behavior is observed in pure water. Microscopically, the inversion is the result of a balance of dipolar and quadrupolar contributions and the strong temperature dependence of the quadrupolar contribution, which is determined by the thermal expansion of the liquid.
Date Issued
2015-12-30
Date Acceptance
2015-12-05
Citation
Physical Review E, 2015, 92 (6)
ISSN
1539-3755
Publisher
American Physical Society
Journal / Book Title
Physical Review E
Volume
92
Issue
6
Copyright Statement
© 2015 American Physical Society
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Grant Number
EP/J003859/1
Subjects
Science & Technology
Physical Sciences
Physics, Fluids & Plasmas
Physics, Mathematical
Physics
MOLECULAR-DYNAMICS
LIQUID-MIXTURES
DEPENDENCE
DIFFUSION
SUSPENSIONS
SYSTEMS
HEAT
Fluids & Plasmas
01 Mathematical Sciences
02 Physical Sciences
09 Engineering
Publication Status
Published
Article Number
060103(R)