Transport coefficients for binary Yukawa mixtures: theory and molecular dynamic simulations

We present the generalization to the binary Yukawa mixture of equilibrium molecular dynamic computations of the transport coefficients of the Yukawa one-component plasma (Salin and Caillol 2002 Phys. Rev. Lett. 88 065002, Salin and Caillol 2000 J. Chem. Phys. 113 10459-63). The simulations were performed within periodic boundary conditions, and Ewald sums were implemented for the potentials, the forces and for all the currents which enter the Kubo formulae. Results include shear and bulk viscosities, ionic thermal conductivity, as in the one-component case, but also diffusion and interdiffusion coefficients. We will present the different coefficients and examples of simulations. We shall also compare our simulation results for large screening parameters with Chapman-Enskog theory (Chapman and Cowling 1970 The Mathematical Theory of Non-Uniform Gases 3rd edn (Cambridge: Cambridge University Press))