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Titolo:
Modeling of zeolite L crystallization using continuum time Monte Carlo simulations
Autore:
Nikolakis, V; Vlachos, DG; Tsapatsis, M;
Indirizzi:
Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA Univ Massachusetts Amherst MA USA 01003 Chem Engn, Amherst, MA 01003 USA
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 5, volume: 111, anno: 1999,
pagine: 2143 - 2150
SICI:
0021-9606(19990801)111:5<2143:MOZLCU>2.0.ZU;2-W
Fonte:
ISI
Lingua:
ENG
Soggetto:
AUTOCATALYTIC NUCLEATION; GEL MICROSTRUCTURE; L NANOCLUSTERS; SMALL-ANGLE; KINETICS; GROWTH; SILICALITE; SCATTERING; CRYSTALS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
30
Recensione:
Indirizzi per estratti:
Indirizzo: Vlachos, DG Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA UnivMassachusetts Amherst MA USA 01003 Amherst, MA 01003 USA
Citazione:
V. Nikolakis et al., "Modeling of zeolite L crystallization using continuum time Monte Carlo simulations", J CHEM PHYS, 111(5), 1999, pp. 2143-2150

Abstract

A model to investigate a gel-to-zeolite transformation as a possible growth mechanism through association and rearrangements of extended precursor structures is developed and solved via continuum time lattice Monte Carlo simulations. The model is used to study the morphology of zeolite L nanocrystals grown from an initial amorphous microporous precursor gel. The model considers gel dissolution to release growth precursor extended structures, precursor migration, precursor-precursor association, precursor incorporation into zeolite nanoparticles, and zeolite dissolution. It is shown that the gel-to-zeolite transformation can occur when dissolved precursor migration is slow compared to precursor incorporation and zeolite dissolution. Under these conditions, the initial gel microstructure (intraparticle porosity) has a significant effect on the zeolite morphology and on the crystallizationkinetics. This transformation proceeds in two stages: A zeolitic frameworkforms initially without long-range order, followed by slow rearrangement of building units into nanocrystalline particles with possible defects. Finally different growth modes are identified as a function of microkinetic parameters and gel morphology. (C) 1999 American Institute of Physics. [S0021-9606(99)71229-8].

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Documento generato il 05/12/20 alle ore 23:28:36