Molecular dynamics simulations of nanoparticle self-assembly at ionic liquid-water and ionic liquid-hexane interfaces

Denzil S. Frost, Lenore Dai

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

Abstract

Ionic liquids are a unique collection of liquid materials composed solely of ions. Under ambient conditions, room temperature ionic liquids (RTILs) stay as liquids, whereas conventional salts are in the crystalline state. Recently, we reported the self-assembly of solid particles in ionic liquid-in-water Pickering emulsions; the most intriguing observation is that some microparticles not only equilibrate at ionic liquid-water interfaces but are also extracted to the ionic liquid phase with high extraction efficiency. In this report, we discuss nanoparticle self-assembly at ionic liquid-water and ionic liquid-hexane interfaces using molecular dynamics (MD) simulations. The two systems show significantly difference in particle equilibrium positions, solid-liquid interaction, and interfacial ordering.

Original languageEnglish (US)
Title of host publication11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings
StatePublished - 2011
Event2011 AIChE Annual Meeting, 11AIChE - Minneapolis, MN, United States
Duration: Oct 16 2011Oct 21 2011

Other

Other2011 AIChE Annual Meeting, 11AIChE
CountryUnited States
CityMinneapolis, MN
Period10/16/1110/21/11

Fingerprint

Ionic Liquids
Hexanes
Hexane
Ionic liquids
Self assembly
Molecular dynamics
Nanoparticles
Water
Computer simulation
Liquids
Emulsions
Interfaces (computer)
Salts
Ions
Crystalline materials

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

Frost, D. S., & Dai, L. (2011). Molecular dynamics simulations of nanoparticle self-assembly at ionic liquid-water and ionic liquid-hexane interfaces. In 11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings

Molecular dynamics simulations of nanoparticle self-assembly at ionic liquid-water and ionic liquid-hexane interfaces. / Frost, Denzil S.; Dai, Lenore.

11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings. 2011.

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

Frost, DS & Dai, L 2011, Molecular dynamics simulations of nanoparticle self-assembly at ionic liquid-water and ionic liquid-hexane interfaces. in 11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings. 2011 AIChE Annual Meeting, 11AIChE, Minneapolis, MN, United States, 10/16/11.
Frost, Denzil S. ; Dai, Lenore. / Molecular dynamics simulations of nanoparticle self-assembly at ionic liquid-water and ionic liquid-hexane interfaces. 11AIChE - 2011 AIChE Annual Meeting, Conference Proceedings. 2011.
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