Modeling spontaneous chiral symmetry breaking and deracemization phenomena: discrete versus continuum approaches

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Celia BlancoDavid Hochberg

Abstract

We derive the class of population balance equations (PBE), recently applied to model the Viedma deracemization experiment, from an underlying microreversible kinetic reaction scheme. The continuum limit establishing the relationship between the micro- and macroscopic processes and the associated particle fluxes erases the microreversible nature of the molecular interactions in the population growth rate functions and limits the scope of such PBE models to strict kinetic control. The irreversible binary agglomeration processes modeled in those PBEs contribute an additional source of kinetic control. These limitations are crucial regarding the question of the origin of biological homochirality, where the interest in any model lies precisely in its ability for absolute asymmetric synthesis and the amplification of the tiny inherent statistical chiral fluctuations about the ideal racemic composition up to observable enantiometric excess levels.

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Citations

Feb 13, 2016·Physical Review. E·Hiroyasu Katsuno, Makio Uwaha
Jul 16, 2017·Physical Review. E·Hiroyasu Katsuno, Makio Uwaha
Dec 15, 2017·Journal of the Royal Society, Interface·Josep M RibóAlbert Moyano
Jan 20, 2021·Chemical Reviews·Thomas BuhseJean-Claude Micheau
Jan 11, 2017·The Journal of Physical Chemistry. B·Celia BlancoDavid Hochberg

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