Thermal polarization of water Influences the thermoelectric response of aqueous solutions

Di Lecce, Silvia; Bresme, Fernando

doi:https://www.dx.doi.org/10.1021/acs.jpcb.7b10960

File(s)

suppinfo_new-afterFB.pdf (266.95 KB)

Supporting information

seebeck-submission.pdf (2.51 MB)

Accepted version

Author(s)

Di Lecce, Silvia

Bresme, Fernando

Type

Journal Article

Abstract

Aqueous solutions under thermal gradients feature thermodiffusion (Ludwig-Soret) and thermoelectric (Seebeck) effects, whereby the thermal fields build concentration and charge density gradients. Recently, it has been shown that thermal gradients induce polarization fields in water. We use non-equilibrium molecular simulations to quantify the thermoelectric Seebeck coefficient of alkali halide aqueous solutions. We examine the dependence of the coefficient on temperature and salt concentration and show that the thermal polarization of water plays a key role in determining the magnitude of the thermoelectric behavior of the solution.

Date Issued

2018-01-02

Date Acceptance

2018-01-02

Citation

Journal of Physical Chemistry B, 2018, 122 (5), pp.1662-1668

URI

http://hdl.handle.net/10044/1/57596

DOI

https://www.dx.doi.org/10.1021/acs.jpcb.7b10960

ISSN

1520-5207

Publisher

American Chemical Society

Start Page

1662

End Page

1668

Journal / Book Title

Journal of Physical Chemistry B

Volume

122

Issue

5

Copyright Statement

Sponsor

Engineering & Physical Science Research Council (EPSRC)

Identifier

https://www.ncbi.nlm.nih.gov/pubmed/29293343

Grant Number

EP/J003859/1

Subjects

Science & Technology

Physical Sciences

Chemistry, Physical

Chemistry

MOLECULAR-DYNAMICS

HEAT

TEMPERATURE

TRANSPORT

ENHANCEMENT

SIMULATIONS

POTENTIALS

ENERGY

POWER

Publication Status

Published

Coverage Spatial

United States