title: Molecular model for chirality phenomena.
abstract: Chirality is a hallmark feature for molecular recognition in biology and chemical physics. We present a three-dimensional continuum model for studying chirality phenomena in condensed phases using molecular simulations. Our model system is based upon a simple four-site molecule and incorporates non-trivial kinetic behavior, including the ability to switch chirality or racemize, as well as thermodynamics arising from an energetic preference for specific chiral interactions. In particular, we introduce a chiral renormalization parameter that can locally favor either homochiral or heterochiral configurations. Using this model, we explore a range of chirality-specific phenomena, including the kinetics of chiral inversion, the mechanism of spontaneous chiral symmetry breaking in the liquid, chirally driven liquid-liquid phase separation, and chiral crystal structures.
authors: Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544, USA.
authors: Folarin
authors: F
authors: Latinwo
authors: Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.
authors: Frank H
authors: FH
authors: Stillinger
authors: Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544, USA.
authors: Pablo G
authors: PG
authors: Debenedetti
mesh_terms: D003460:Crystallization; D007700:Kinetics; D008958:Models, Molecular; D013237:Stereoisomerism; D013816:Thermodynamics