ABSTRACT
The transport of diatomic ions in noble gases at supercritical states or at coexistence of liquid and gas under the action of an electrostatic field has been found experimentally to depend drastically on the density of the medium. To reproduce the experimental density and field dependence of the ion transport properties around the critical point of the buffer gases and to probe the interactions and the structure around the ion, we apply a new nonequilibrium molecular dynamics method for the simulation of the ion motion. The reproduction of the motion is implemented through consideration of two parallel simulation procedures, one for the gas, which remains always in equilibrium, and a second for the ions and their immediate environment. The inferred sensitivity of the results on the interaction potential shows that (effective) two-body interactions can be probed from experimental data with reasonable accuracy at moderate gas densities.
