Chemical Physics Letters, Vol.729, 6-10, 2019
Experimental and molecular dynamics study of the ionic conductivity in aqueous LiCl electrolytes
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 degrees C and 50 degrees 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.