Molecular Dynamics Simulations of Ion Extraction from Nanodroplets for Ionic Liquid Electrospray Thrusters

Abstract

AbstractMolecular dynamics (MD) simulations were performed for ion extraction from electrospray thrusters to investigate relevant extraction processes numerically. To approximate the electrospray jet tip, a simulation domain consisting of 4-5 nm-sized ionic liquid droplets was used. The extracted ion angles and kinetic energies from EMI–BF4 (1-ethyl-3-methylimidazolium tetrafluoroborate) and EMI–Im (1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide) droplets were quantified by applying uniform electric fields of 1.3–1.7 V nm−1. The MD simulations are in great agreement with simulations presented in the literature and consistently show a greater preference for monomer emission than reported experimentally. At field strengths above 1.5 V nm−1, apparent droplet fracturing and breakup lead to an increase in ion angular velocity distributions. Greater mobility of EMI–BF4 ions than EMI–Im was also observed, indicative of the crucial role of cation-anion hydrogen bond strengths in ion extraction and beam composition between different propellants.