Effects of shear flow on the structure and dynamics of ionic liquids in a metallic nanoconfinement

Publication type:
Journal article
Metadata:
Autoren
  • Samuel Ntim
  • Marialore Sulpizi
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000709882800001&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1039/d1cp01055g
eISSN
1463-9084
Externe Identifier
  • Clarivate Analytics Document Solution ID: WQ9NZ
  • PubMed Identifier: 34676844
ISSN
1463-9076
Ausgabe der Veröffentlichung
42
Zeitschrift
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Paginierung
24357 - 24364
Datum der Veröffentlichung
2021
Status
Published
Titel
Effects of shear flow on the structure and dynamics of ionic liquids in a metallic nanoconfinement
Sub types
  • Article
Ausgabe der Zeitschrift
23

Data source: Web of Science (Lite)

Other metadata sources:
Abstract
<jats:p>Molecular dynamics simulations of [BMIM][BF<jats:sub>4</jats:sub>] under shear flow in metallic nano-confinement.</jats:p>
Autoren
  • Samuel Ntim
  • Marialore Sulpizi
DOI
10.1039/d1cp01055g
eISSN
1463-9084
ISSN
1463-9076
Ausgabe der Veröffentlichung
42
Zeitschrift
Physical Chemistry Chemical Physics
Sprache
en
Online publication date
2021
Paginierung
24357 - 24364
Status
Published online
Herausgeber
Royal Society of Chemistry (RSC)
Herausgeber URL
http://dx.doi.org/10.1039/d1cp01055g
Datum der Datenerfassung
2024
Titel
Effects of shear flow on the structure and dynamics of ionic liquids in a metallic nanoconfinement
Ausgabe der Zeitschrift
23

Data source: Crossref

Abstract
It has been shown that a weak shear can induce crystallisation in a disordered, glassy state. In this study, we use molecular dynamics simulations in order to investigate the out-of-equilibrium properties of [BMIM][BF<sub>4</sub>] confined between metal slabs. In particular, we want to understand the extent to which the shear flow modifies the interfacial properties. In particular, the questions we address here are (i) is the shear able to promote the crystalline phase in [BMIM][BF<sub>4</sub>]? (ii) Can, as a consequence of shear flow, a solid-like layer develop at the interface with a metallic surface? (iii) What are the tribological properties of nanoconfined [BMIM][BF<sub>4</sub>]? We find that the system behaves quite differently from the ideal linear Couette flow. Indeed, the portion of fluid closer to the shearing slabs behaves as a disordered, solid-like layer, which, under the investigated conditions extends to a few nanometres. The linear velocity regime is only recovered in the central region of the ionic liquid slab. The formation of such a solid-like glassy rather than crystalline layer is in agreement with recent mechanical impedance measurements performed on nano-confined ionic liquids.
Addresses
  • Institut für Physik, Johannes Gutenberg Universität, Staudingerweg 7, 55128-Mainz, Germany. sulpizi@uni-mainz.de.
Autoren
  • Samuel Ntim
  • Marialore Sulpizi
DOI
10.1039/d1cp01055g
eISSN
1463-9084
Externe Identifier
  • PubMed Identifier: 34676844
Funding acknowledgements
  • Horizon 2020 Framework Programme: 674979-NANOTRANS
  • Deutsche Forschungsgemeinschaft: TRR146
Open access
false
ISSN
1463-9076
Ausgabe der Veröffentlichung
42
Zeitschrift
Physical chemistry chemical physics : PCCP
Sprache
eng
Medium
Electronic
Online publication date
2021
Paginierung
24357 - 24364
Datum der Veröffentlichung
2021
Status
Published
Datum der Datenerfassung
2021
Titel
Effects of shear flow on the structure and dynamics of ionic liquids in a metallic nanoconfinement.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
23

Data source: Europe PubMed Central

Abstract
It has been shown that a weak shear can induce crystallisation in a disordered, glassy state. In this study, we use molecular dynamics simulations in order to investigate the out-of-equilibrium properties of [BMIM][BF4] confined between metal slabs. In particular, we want to understand the extent to which the shear flow modifies the interfacial properties. In particular, the questions we address here are (i) is the shear able to promote the crystalline phase in [BMIM][BF4]? (ii) Can, as a consequence of shear flow, a solid-like layer develop at the interface with a metallic surface? (iii) What are the tribological properties of nanoconfined [BMIM][BF4]? We find that the system behaves quite differently from the ideal linear Couette flow. Indeed, the portion of fluid closer to the shearing slabs behaves as a disordered, solid-like layer, which, under the investigated conditions extends to a few nanometres. The linear velocity regime is only recovered in the central region of the ionic liquid slab. The formation of such a solid-like glassy rather than crystalline layer is in agreement with recent mechanical impedance measurements performed on nano-confined ionic liquids.
Autoren
  • Samuel Ntim
  • Marialore Sulpizi
Autoren-URL
https://www.ncbi.nlm.nih.gov/pubmed/34676844
DOI
10.1039/d1cp01055g
eISSN
1463-9084
Ausgabe der Veröffentlichung
42
Zeitschrift
Phys Chem Chem Phys
Sprache
eng
Country
England
Paginierung
24357 - 24364
Datum der Veröffentlichung
2021
Status
Published online
Titel
Effects of shear flow on the structure and dynamics of ionic liquids in a metallic nanoconfinement.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
23

Data source: PubMed

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