SCHEDULED MAINTENANCE
Kirkwood–Rice–Allnatt kinetic theory of transport in liquids
Abstract
Some fundamental simplifying assumptions in the approximate kinetic theory of transport in simple liquids and ionic melts, developed by Kirkwood, Rice, Allnatt and collaborators, are examined using molecular dynamics results. The analysis is based upon the velocity and force autocorrelation functions and a resolution of the latter into auto- and cross-correlations arising from the long- and short-range components of the pair potentials. The results indicate that hard-soft cross-correlations are important, and that the simple two-event mechanism for momentum transfer is not appropriate to real liquids. Coulombic forces are found to make an appreciable contribution to the dissipation of energy in ionic liquids largely through cross-corelations with the short-range repulsions.
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