GENERALIZED MODE APPROACH 3. GENERALIZED TRANSPORT COEFFICIENTS OF A LENNARD-JONES FLUID

In this work we develop a free-parameter scheme for calculation of the generalized transport coefficients (GTCs) within the generalized mode approach. Explicit expressions for GTCs as functions of wavenumber k and frequency ω in M-mode approximation are derived using the memory function formalism. For a Lennard-Jones fluid at reduced density n * = nσLJ 3 = 0·845 and reduced temperature T * = k B T/eLJ = 1·706 we have performed numerical calculations of the generalized bulk viscosity, the generalized thermal conductivity and the transport coefficient describing the coupling of heat and stress fluxes. The results are obtained in the five-, seven- and nine-variable approximations and discussed in comparison with the molecular dynamic data as well as with the results known previously.