Journal of Crystal Growth, Vol.311, No.17, 4265-4269, 2009
Monte Carlo simulation of a cluster model for the chirality conversion of crystals with grinding
By means of Monte Carlo simulation of a cluster model, we study statistical aspect of the chirality conversion of crystals. The chirality conversion is known to occur in a saturated solution by grinding crystals, and the enantiomeric excess increases exponentially. In the simulation, with crystallization and dissolution of monomers alone, the behavior of the enantiomeric excess observed in experiment cannot be reproduced although the homochirality is realized as a result of statistical fluctuation. By allowing crystallization and dissolution of dimers, the exponential amplification of enantiomeric excess can be realized. (C) 2009 Elsevier B.V. All rights reserved.