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Modeling of SiO_2 deposition in porous Vycor: Effects of pore network connectivity

Tsapatsis, Michael and Gavalas, George R. (1997) Modeling of SiO_2 deposition in porous Vycor: Effects of pore network connectivity. AIChE Journal, 43 (7). pp. 1849-1860. ISSN 0001-1541. https://resolver.caltech.edu/CaltechAUTHORS:20151007-090424728

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Abstract

A mathematical model developed for SiO_2 deposition in porous Vycor glass using SiCl_4 hydrolysis describes reaction, diffusion and evolution of the pore structure due to accumulation of the solid product. The deposition reaction is described by transient heterogeneous kinetics in terms of the concentrations of silanol and chloride groups in the product layer as well as those of the gaseous reactants. For typical deposition conditions the pseudo steady-state approximation for surface species could lead to erroneous predictions. Pore structure evolution is modeled by incorporating results of percolation theory. For this purpose the porous glass is represented by a Bethe lattice with coordination number 3 and alternatively by a decorated Bethe lattice in which each bond is replaced by a composite bond consisting of two bonds in series. The second network can capture the effect of pore radius variation along a single pore. For the decorated lattice, pore connectivity interruption at a higher void fraction leads to thinner deposits and shorter deposition times for pore plugging compared to the corresponding ones for the simple lattice.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1002/aic.690430720DOIArticle
http://onlinelibrary.wiley.com/doi/10.1002/aic.690430720/fullPublisherArticle
ORCID:
AuthorORCID
Tsapatsis, Michael0000-0001-5610-3525
Gavalas, George R.0000-0003-1468-6835
Alternate Title:Modeling of SiO2 deposition in porous Vycor: Effects of pore network connectivity
Additional Information:© 1997 American Institute of Chemical Engineers (AIChE). Manuscript received Dec. 15, 1995, and revision received Jan. 17, 1997. The authors appreciate funding of this project by the Department of Energy under the University Coal Research Program, Grant DE-FG22-92PC92525. One of the authors (M. T.) acknowledges partial support through a David and Lucile Packard Foundation Fellowship in Science and Engineering. Professor Sotirchos provided helpful suggestions.
Funders:
Funding AgencyGrant Number
Department of Energy (DOE)DE-FG22-92PC92525
David and Lucile Packard FoundationUNSPECIFIED
Issue or Number:7
Record Number:CaltechAUTHORS:20151007-090424728
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20151007-090424728
Official Citation:Tsapatsis, M. and Gavalas, G. (1997), Modeling of SiO2 deposition in porous Vycor: Effects of pore network connectivity. AIChE J., 43: 1849–1860. doi:10.1002/aic.690430720
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:60841
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:13 Oct 2015 15:42
Last Modified:09 Mar 2020 13:19

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