Pattern formation in binary fluid mixtures induced by short-range competing interactions

Cecilia Quijano, Enrique Lomba, Aurélien Perera, Noé G. Almarza

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Molecular dynamics simulations and integral equation calculations of a simple equimolar mixture of diatomic molecules and monomers interacting via attractive and repulsive short-range potentials show the existence of pattern formation (microheterogeneity), mostly due to depletion forces away from the demixing region. Effective site-site potentials extracted from the pair correlation functions using an inverse Monte Carlo approach and an integral equation inversion procedure exhibit the features characteristic of a short-range attractive and a long-range repulsive potential. When charges are incorporated into the model, this becomes a coarse grained representation of a room temperature ionic liquid, and as expected, intermediate range order becomes more pronounced and stable.

Original languageEnglish (US)
Article number084501
JournalJournal of Chemical Physics
Volume143
Issue number8
DOIs
StatePublished - Aug 28 2015
Externally publishedYes

Fingerprint

binary fluids
Integral equations
Ionic Liquids
Fluids
integral equations
Molecular dynamics
Monomers
interactions
diatomic molecules
Molecules
Computer simulation
depletion
monomers
inversions
molecular dynamics
room temperature
liquids
Temperature
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Pattern formation in binary fluid mixtures induced by short-range competing interactions. / Quijano, Cecilia; Lomba, Enrique; Perera, Aurélien; Almarza, Noé G.

In: Journal of Chemical Physics, Vol. 143, No. 8, 084501, 28.08.2015.

Research output: Contribution to journalArticle

Quijano, Cecilia ; Lomba, Enrique ; Perera, Aurélien ; Almarza, Noé G. / Pattern formation in binary fluid mixtures induced by short-range competing interactions. In: Journal of Chemical Physics. 2015 ; Vol. 143, No. 8.
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