Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis

Jorge, M and Auerbach, S M and Monson, P A (2005) Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis. Journal of the American Chemical Society, 127 (41). pp. 14388-14400. ISSN 1520-5126 (https://doi.org/10.1021/ja052402i)

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Abstract

We present a lattice model describing the formation of silica nanoparticles in the early stages of the clear-solution templated synthesis of silicalite-1 zeolite. Silica condensation/hydrolysis is modeled by a nearest-neighbor attraction, while the electrostatics are represented by an orientation-dependent, short-range interaction. Using this simplified model, we show excellent qualitative agreement with published experimental observations. The nanoparticles are identified as a metastable state, stabilized by electrostatic interactions between the negatively charged silica surface and a layer of organic cations. Nanoparticle size is controlled mainly by the solution pH, through nanoparticle surface charge. The size and concentration of the charge-balancing cation are found to have a negligible effect on nanoparticle size. Increasing the temperature allows for further particle growth by Ostwald ripening. We suggest that this mechanism may play a role in the growth of zeolite crystals.

ORCID iDs

Jorge, M ORCID logoORCID: https://orcid.org/0000-0003-3009-4725, Auerbach, S M and Monson, P A;
  • Item type:Article
    ID code:42555
    Dates:
    Date
    Event
    19 October 2005
    Published
    27 September 2005
    Published Online
    Notes:This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Journal of the American Chemical Society, copyright © American Chemical Society after peer review. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/ja052402i.
    Subjects:Technology > Chemical engineering
    Department:Faculty of Engineering > Chemical and Process Engineering
    Depositing user: Pure Administrator
    Date deposited:15 Jan 2013 14:32
    Last modified:11 Nov 2024 10:19
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/42555
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