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Article Dans Une Revue Journal of Chemical Physics Année : 2015

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

Résumé

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.
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hal-04343098 , version 1 (02-02-2024)

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Cecilia Bores, Enrique Lomba, Aurélien Perera, Noé Almarza. Pattern formation in binary fluid mixtures induced by short-range competing interactions. Journal of Chemical Physics, 2015, 143 (8), ⟨10.1063/1.4928524⟩. ⟨hal-04343098⟩
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