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A First-Order Markov-Chain Model of Zeolite Crystallization

Published online by Cambridge University Press:  02 April 2024

Daniel B. Hawkins
Daniel B. Hawkins*
Affiliation:
Department of Geology/Geophysics, The University of Alaska Fairbanks, Fairbanks, Alaska 99775
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Abstract

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A method using a finite, first-order Markov chain is presented to estimate rate constants for zeolite formation from experimental nuclear magnetic resonance (NMR) data on the abundance of different silica oligomers. An experimental design is suggested by which this method can be implemented. The method uses weighted least squares to estimate transition probabilities from aggregate NMR data. Rate constants, equilibrium constants, and free energies of elementary zeolite-forming reactions can be estimated. Hypothetical zeolite-forming reactions can also be modeled. An example of modeling, using hypothetical data, shows how zeolite formation can result from reactions involving mainly silica cyclic tetramers.

Keywords

CrystallizationMarkov-chain modelRate constantsSilica oligomersZeolites
Type
Research Article
Information
Clays and Clay Minerals , Volume 37 , Issue 5 , October 1989 , pp. 433 - 438
Copyright
Copyright © 1989, The Clay Minerals Society

Footnotes

1

Presented at Symposium on the Geology, Genesis, Synthesis, and Use of Zeolites at 38th annual meeting of The Clay Minerals Society, Jackson, Mississippi, October 1986, convened by R. J. Donahoe. Manuscript reviewing and editing coordinated by R. J. Donahoe and R. A. Sheppard.

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