화학공학소재연구정보센터
Journal of Chemical Physics, Vol.107, No.13, 4844-4851, 1997
Many-body components in the integrated far-infrared absorption coefficient of diatomic molecules in spherical solvents
In this paper we present a quantitative study of the static cancellation effects between two-and three-body components of the total integrated absorption coefficient in the far-infrared spectra of several systems (diluted solutions of diatomic molecules in spherical solvents) with important electric multipolar induced contributions to absorption, This static cancellation decreases with an increasing order of the multipolar induced mechanism. Even more, for hexadecapole-induced dipole contributions, cancellation transforms into enhancement fur all the systems considered (GO-Ar, N-2-Ar, and N-2-Xe at different densities and temperatures). These results are obtained first by computer simulations and second by means of the knowledge of the static structure of the fluid, that is two-and three-body static distribution functions. From both procedures results are similar. (C) 1997 American Institute of Physics.