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

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

Research output: Contribution to journalArticle

5 Scopus citations

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

ASJC Scopus subject areas

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

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