472491 Molecular Model for Chirality Phenomena

Thursday, November 17, 2016: 2:43 PM
Union Square 22 (Hilton San Francisco Union Square)
Folarin Latinwo, Chemical and Biological Engineering, Princeton University, Princeton, NJ, Frank H. Stillinger, Department of Chemistry, Princeton University, Princeton, NJ and Pablo G. Debenedetti, Department Chemical and Biological Engineering, Princeton University, Princeton, NJ

Chirality has broad implications in pharmacology, materials processing, and the origin of life. In this work, we present a new three-dimensional continuum molecular model for chirality phenomena in condensed matter systems. Our model system is based upon a simple tetramer molecule with kinetics, including the ability to switch chirality or racemize, and with thermodynamics, that reflects energetically favoring specific chiral interactions. In particular, we introduce a chiral renormalization parameter that can locally favor either homochiral or heterochiral configurations. Using this model in conjunction with molecular dynamics calculations, we highlight a range of chirality specific phenomena, including the kinetics of chiral inversion, the mechanism of spontaneous chiral symmetry breaking in the liquid, chiral liquid-liquid phase separation, and chiral crystal structures.

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See more of this Session: Thermodynamics at the Nanoscale I
See more of this Group/Topical: Engineering Sciences and Fundamentals