@inproceedings{06caedd0b08f42cb93e737cb28105301,
title = "Ionic liquid electrospray modeling using molecular dynamics",
abstract = "Molecular dynamics simulations using an in-house parallelized code were performed to investigate the behavior of the EMIM-BF4 Ionic Liquid. First, the IL was equilibrated inside a cubic box with and without periodic boundary conditions to verify the coarse-grained potential parameters, then 2160 IL molecules were placed inside a platinum capillary and equilibrated. We verified that the total energy is conserved during the NVE simulation and that the total temperature remains close to the initial ambient temperature. Then, an electric field was applied to the system in the longitudinal direction and the droplet emitted solvated and non-solvated ions for electric field higher than 1.2 V/nm. Diffusion coefficients and electrical conductivity were calculated and compared with litterature values, showing good agreement.",
author = "Arnaud Borner and Zheng Li and Levin, {Deborah A.}",
year = "2011",
doi = "10.2514/6.2011-5524",
language = "English (US)",
isbn = "9781600869495",
series = "47th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit 2011",
publisher = "American Institute of Aeronautics and Astronautics Inc.",
booktitle = "47th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit 2011",
note = "47th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit 2011 ; Conference date: 31-07-2011 Through 03-08-2011",
}