Modeling of an Ionic Liquid Electrospray using a Molecular Dynamics Model

摘要

Molecular dynamics simulations have been performed to investigate the behavior of the EMIM-BF_4 ionic liquid for conditions similar to those of electrospray thrusters. To study the physics of ion extrusion a large system composed of approximately 2, 160 ion pairs was placed inside a platinum capillary and equilibrated. An electric field was applied to the system in the longitudinal direction and the fraction of solvated and non-solvated emitted ions, as well as the internal configuration of those clusters, were analyzed. A moving potential wall model was used to generate a mass flow inside the capillary and a Taylor cone was observed in the case of an extrusion event with ionic liquid mass flow.