Study of ionic liquid mixture droplet evolution in an external electric field using molecular dynamics

Neil A. Mehta, Deborah Levin Fliflet

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

Abstract

Molecular dynamics (MD) simulations are used to study the evolution of droplets formed from the mixture of two ionic liquids, namely, ethylammonium nitrate (EAN) and 1-ethyl-3-methylimidazolium ethyl sulfate (EMIM-EtSO4) in the presence of an external electric field. It was found that increasing the fraction of EMIM-EtSO4 in the droplet structure makes it electrostatically weaker. However, the time required for the first cations and anions to reach the sampling zone was found to be longer for droplets with a higher mass fraction of EMIM-EtSO4 due to more the massive cation and anion size compared to that of EAN.

Original languageEnglish (US)
Title of host publication31st International Symposium on Rarefied Gas Dynamics, RGD 2018
EditorsDuncan Lockerby, David R. Emerson, Lei Wu, Yonghao Zhang
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735418745
DOIs
StatePublished - Aug 5 2019
Event31st International Symposium on Rarefied Gas Dynamics, RGD 2018 - Glasgow, United Kingdom
Duration: Jul 23 2018Jul 27 2018

Publication series

NameAIP Conference Proceedings
Volume2132
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference31st International Symposium on Rarefied Gas Dynamics, RGD 2018
CountryUnited Kingdom
CityGlasgow
Period7/23/187/27/18

Fingerprint

molecular dynamics
electric field
droplets
droplet
nitrates
anions
cations
electric fields
anion
liquids
cation
nitrate
sulfates
sampling
sulfate
simulation
ionic liquids
ionic liquid

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Mehta, N. A., & Levin Fliflet, D. (2019). Study of ionic liquid mixture droplet evolution in an external electric field using molecular dynamics. In D. Lockerby, D. R. Emerson, L. Wu, & Y. Zhang (Eds.), 31st International Symposium on Rarefied Gas Dynamics, RGD 2018 [050001] (AIP Conference Proceedings; Vol. 2132). American Institute of Physics Inc.. https://doi.org/10.1063/1.5119535

Study of ionic liquid mixture droplet evolution in an external electric field using molecular dynamics. / Mehta, Neil A.; Levin Fliflet, Deborah.

31st International Symposium on Rarefied Gas Dynamics, RGD 2018. ed. / Duncan Lockerby; David R. Emerson; Lei Wu; Yonghao Zhang. American Institute of Physics Inc., 2019. 050001 (AIP Conference Proceedings; Vol. 2132).

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

Mehta, NA & Levin Fliflet, D 2019, Study of ionic liquid mixture droplet evolution in an external electric field using molecular dynamics. in D Lockerby, DR Emerson, L Wu & Y Zhang (eds), 31st International Symposium on Rarefied Gas Dynamics, RGD 2018., 050001, AIP Conference Proceedings, vol. 2132, American Institute of Physics Inc., 31st International Symposium on Rarefied Gas Dynamics, RGD 2018, Glasgow, United Kingdom, 7/23/18. https://doi.org/10.1063/1.5119535
Mehta NA, Levin Fliflet D. Study of ionic liquid mixture droplet evolution in an external electric field using molecular dynamics. In Lockerby D, Emerson DR, Wu L, Zhang Y, editors, 31st International Symposium on Rarefied Gas Dynamics, RGD 2018. American Institute of Physics Inc. 2019. 050001. (AIP Conference Proceedings). https://doi.org/10.1063/1.5119535
Mehta, Neil A. ; Levin Fliflet, Deborah. / Study of ionic liquid mixture droplet evolution in an external electric field using molecular dynamics. 31st International Symposium on Rarefied Gas Dynamics, RGD 2018. editor / Duncan Lockerby ; David R. Emerson ; Lei Wu ; Yonghao Zhang. American Institute of Physics Inc., 2019. (AIP Conference Proceedings).
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