Dissipative particle dynamics for systems with polar species: Interactions in dielectric media

In this work, we develop a method for simulating polar species in the dissipative particle dynamics (DPD) method. The main idea behind the method is to treat each bead as a dumb-bell, i.e., two sub-beads kept at a fixed distance, instead of a point-like particle. The relation between the bead dipole moment and the bulk dielectric permittivity was obtained. The interaction force of single charges in polar liquid showed that the effective dielectric permittivity is somewhat smaller than that obtained for the bulk case at large separation between the charges. In order to understand the reasons behind the observed drop in the dielectric permittivity, we calculate the electric field of an isolated charge in a polar liquid; no permittivity drop is observed for this case. We can assume that the behavior observed for the force is due to the fact that the probing point is always associated with the charged bead, which is a force center, which essentially leads to a non-homogeneous density distribution around it on average; this is not the case when the field is measured. The interaction of a single charge with an interface between two liquids with different permittivities was studied after that; the model is found to correctly reproduce the "mirror image" effects. Finally, we show why it is necessary to treat the polar species in DPD explicitly by investigating the behavior of a charged colloidal particle at a liquid-liquid interface.