Pattern formation in binary fluid mixtures induced by short-range competing interactions.
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.
Instituto de Química Física Rocasolano, CSIC, Serrano 119, E-28006 Madrid, Spain.
Cecilia
C
Bores
Instituto de Química Física Rocasolano, CSIC, Serrano 119, E-28006 Madrid, Spain.
Enrique
E
Lomba
Laboratoire de Physique Théorique de la Matiére Condensée (UMR CNRS 7600), Université Pierre et Marie Curie, 4 Place Jussieu, F75252 Paris Cedex 05, France.
Aurélien
A
Perera
Instituto de Química Física Rocasolano, CSIC, Serrano 119, E-28006 Madrid, Spain.
Noé G
NG
Almarza
D052578:Ionic Liquids / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D013696:Temperature
D052578:Ionic Liquids