Lithium chloride LiCl is widely used as a prototype system to study the strongly dissociated 1-1 electrolyte solution. Here, we combined experimental measurements and classical molecular dynamics simulations to study the ion conduction in this system. Ionic conductivities were reported at both 20∘C and 50∘C from experiments and compared to results from molecular dynamics simulations. The main finding of this work is that transference numbers of Li+ and Cl− become comparable at high concentration. This phenomenon is independent of the force fields employed in the simulation and may be resulted from the ion-specific concentration dependence of mobility.
@article{arxiv.1901.09385,
title = {Experimental and molecular dynamics study of the ionic conductivity in aqueous LiCl electrolytes},
author = {Are Yllö and Chao Zhang},
journal= {arXiv preprint arXiv:1901.09385},
year = {2019}
}