Spontaneous chiral resolution in two-dimensional systems of patchy particles

Short ranged potentials and their anisotropy produce spontaneous chiral resolution in a two dimensional model of patchy particles introduced in this paper. This model could represent an equimolar binary mixture (racemic mixture) of two kinds of chiral molecules (enantiomers) adsorbed to a bi-dimensional domain where only lateral short ranged interactions are present. Most racemic mixtures undergo chiral resolution due to their spatial anisotropy, the combined effect of long range forces and the thermodynamic conditions. The patchy particles are modeled as a hard disk and four different bonding sites located to produce chirality. Phase behavior and structural properties are analysed using Discontinuous Molecular Dynamics in the canonical ensemble. When the four patchy particles are separated by the angles {60°, 120°, 60°, 120°}, spontaneous chiral resolution is produced, given by the formation of homochiral clusters, if started from the corresponding racemic mixture. Gel behavior is also obtained in all the systems for low temperatures and low densities. © 2014 AIP Publishing LLC.

Anisotropy; Binary mixtures; Molecular dynamics; Two dimensional; Discontinuous molecular dynamics; Equimolar binary mixtures; Short-ranged interaction; Short-ranged potentials; Spatial anisotropy; Thermodynamic conditions; Two dimensional model; Two-dimensional systems; Stereochemistry; biopolymer; article; chemical model; chemical structure; chemistry; colloid; computer simulation; drug mixture; particle size; stereoisomerism; Biopolymers; Colloids; Complex Mixtures; Computer Simulation; Models, Chemical; Models, Molecular; Particle Size; Stereoisomerism

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