Please use this identifier to cite or link to this item: https://hdl.handle.net/10216/49951
Author(s): M. Jorge
Scott M. Auerbach
P. A. Monson
Title: Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis
Issue Date: 2005
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.
Subject: Química molecular, Engenharia química
Molecular chemistry, Chemical engineering
Scientific areas: Ciências da engenharia e tecnologias::Engenharia química
Engineering and technology::Chemical engineering
URI: https://repositorio-aberto.up.pt/handle/10216/49951
Document Type: Artigo em Revista Científica Internacional
Rights: openAccess
License: https://creativecommons.org/licenses/by-nc/4.0/
Appears in Collections:FEUP - Artigo em Revista Científica Internacional

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