화학공학소재연구정보센터
Journal of Chemical Physics, Vol.103, No.22, 9810-9812, 1995
Normal-Mode Theory of Diffusion in Liquids for a Broad Temperature-Range
A theory based upon normal mode analysis (NMA) is used to calculate the self-diffusion constant, D, in the unit density Lennard-Jones liquid. The theory, which uses no adjustable parameters, is in good agreement with computer simulation over the reduced temperature range 20 greater than or equal to T greater than or equal to 0.42. Thus NMA appears applicable to systems besides the cold liquids for which it was originally proposed.