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Summary: Modeling nanoparticle formation during early stages of zeolite
growth: A low-coordination lattice model of template penetration
L. Jin
, Scott M. Auerbach
, and P. A. Monson
Department of Chemical Engineering
University of Massachusetts
Amherst, MA 01003, USA
and
Department of Chemistry
University of Massachusetts
Amherst, MA 01003, USA
(Dated: July 20, 2010)
Abstract
We present an extension of the simple-cubic lattice model developed by Jorge et al. [J. Am.
Chem. Soc. 127, 14388 (2005)] of nanoparticle growth in the clear solution synthesis of silicalite-1
(MFI). We have implemented the model on a body-center cubic (bcc) lattice with second-neighbor
repulsions, to generate a four-coordinate network that mimics the tetrahedral structure of silica.
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