Modeling of an ionic liquid electrospray using a molecular dynamics model

Arnaud Borner, Zheng Li, Deborah A. Levin

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular dynamics simulations have been performed to investigate the behavior of the EMIM-BF4 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.

Original languageEnglish (US)
Title of host publication28th International Symposium on Rarefied Gas Dynamics 2012
Pages887-894
Number of pages8
Edition1
DOIs
StatePublished - Dec 1 2012
Externally publishedYes
Event28th International Symposium on Rarefied Gas Dynamics 2012, RGD 2012 - Zaragoza, Spain
Duration: Jul 9 2012Jul 13 2012

Publication series

NameAIP Conference Proceedings
Number1
Volume1501
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other28th International Symposium on Rarefied Gas Dynamics 2012, RGD 2012
CountrySpain
CityZaragoza
Period7/9/127/13/12

Keywords

  • Corase-grained
  • Electrospray
  • Ionic Liquid
  • Molecular Dynamics
  • Solvation
  • Taylor Cone

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Cite this

    Borner, A., Li, Z., & Levin, D. A. (2012). Modeling of an ionic liquid electrospray using a molecular dynamics model. In 28th International Symposium on Rarefied Gas Dynamics 2012 (1 ed., pp. 887-894). (AIP Conference Proceedings; Vol. 1501, No. 1). https://doi.org/10.1063/1.4769636