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

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 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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Cited by in corpus (3)

• Temperature of maximum density and excess properties of short-chain alcohol aqueous solutions: A simplified model simulation study
• Pattern formation for a local/nonlocal interaction functional arising in colloidal systems
• Correlation functions in mixtures with energetically favoured nearest-neighbours of different kind: a size-asymmetric case