abstract:The pair distribution function (PDF) describes the distribution of distances between pairs of particles contained within a given volume. Mathematically, if a and b are two particles in a fluid, the PDF of b with respect to a, denoted by g_{ab}(\vec{r}) is the probability of finding the particle b at the distance \vec{r} from a, with a taken as the origin of coordinates.
The simulatedradialdistributionfunctionanddiffusioncoefficientalsoaccordwithexperimentbasically. Rather, the pair distribution function is consistent with the literaturereported.