Skip to main content
. 2018 Apr 17;14(5):2667–2677. doi: 10.1021/acs.jctc.8b00170

Figure 2.

Figure 2

Finite-size corrections required for self-diffusion coefficients as a function of the YH correction (DYH, Equation 2) for (a) LJ and (b) molecular mixtures computed with 500 LJ particles/250 molecules (blue circles), 1000 LJ particles/500 molecules (red squares), 2000 LJ particles/1000 molecules (green diamonds), and 4000 LJ particles/2000 molecules (magenta pentagons). Closed and open symbols represent the corrections to the self-diffusivity of species 1 and species 2, respectively. The dashed lines indicate perfect agreement. Statistical uncertainties are listed in the Supporting Information.