Structural Anisotropy in Polar Fluids Subjected to Periodic Boundary Conditions
Abstract in UndeterminedA heuristic model based on dielectric continuum theory for the long-range solvation free energy of a dipolar system possessing periodic boundary conditions (PBCs) is presented. The predictions of the model are compared to simulation results for Stockmayer fluids simulated using three different cell geometries. The boundary effects induced by the PBCs are shown to lead to an
