화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.16, 6782-6787, 2000
Induced-dipole contributions to the conductivity and dielectric response of molten ZnCl2
A molecular dynamics simulation of molten ZnCl2 with a realistic interionic potential is used to evaluate the contribution of interaction-induced dipoles to the dielectric response, or equivalently, to the conductivity. The induced dipoles are included self-consistently in the interionic potential. The contribution is found to be significant across the accessible range of frequencies, modifying various features of the spectrum ordinarily attributed to elementary translations of the ionic charges, and markedly improving agreement with experimental spectra.