Bridging electrostatic properties between nanoscopic and microscopic highly charged droplets

The chemical reaction mechanisms within electrosprayed droplets are still unknown. The location of ions provides insight into theses mechanisms. We demonstrate the convergence of ion spatial distributions in aqueous droplets using molecular dynamics. This convergence allows one to extrapolate the simulation results from nanoscopic dimensions to larger ones, which are still inaccessible to atomistic modeling. The surface excess charge and electric field are also computed. We find that the surface excess charge layer is approximately 1.5 nm-1.7 nm thick and that approximate to 55 %- 24% (from smaller to larger droplets) of the total number of ions reside in this layer.