Work

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

Year: 2015

Type: article

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.

Source: The Journal of Chemical Physics

DOI: 10.1063/1.4928524

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

Institutions: Instituto de Química Física Blas Cabrera, Centre National de la Recherche Scientifique, Laboratoire de Physique Théorique de la Matière Condensée, Université Pierre-et-Marie-Curie

Language: English

Topic: Advanced Physical and Chemical Molecular Interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: bronze

Funders: Ministerio de Economía y Competitividad, Centre National de la Recherche Scientifique, Université Pierre et Marie Curie, Dirección General de Investigación Científica y Técnica

Awards: G7184027597, G7344872845