Electric conductivity in electrolyte solution under external electromagnetic field by nonequilibrium molecular dynamics simulation

LiJun Yang; KaMa Huang

doi:10.1021/jp102593m

Electric conductivity in electrolyte solution under external electromagnetic field by nonequilibrium molecular dynamics simulation

J Phys Chem B. 2010 Jul 1;114(25):8449-52. doi: 10.1021/jp102593m.

Authors

LiJun Yang¹, KaMa Huang

Affiliation

¹ College of Electronics and Information Engineering, Sichuan University, Chengdu, 610064, People's Republic of China.

PMID: 20536198
DOI: 10.1021/jp102593m

Abstract

Nonequilibrium molecular dynamics (NMD) simulations are performed to investigate the effects of an external electromagnetic (E/M) field on NaCl electrolyte solutions at different temperatures using the SPC/E model. The electromagnetic wave propagates in the z-axis direction with a frequency of 2.45 GHz, and the intensity of the E/M field is 3 x 10(4) V/m. The results indicate that as the concentration of the electrolyte solution increased, the diffusion coefficient and the ionic mobility gradually decreased, but the electric conductivity gradually increased. In addition, all three of them will be increased when the temperature is increased. But their value will be reduced when the electromagnetic field is applied.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Diffusion
Electric Conductivity
Electrolytes / chemistry*
Magnetics*
Molecular Dynamics Simulation*
Solutions / chemistry*

Substances

Electrolytes
Solutions