Pore Size Distributions in Porous Glasses:  A Computer Simulation Study

Lev D. Gelb and K. E. Gubbins
Department of Chemical Engineering, North Carolina State University, 113 Riddick Labs, Raleigh, North Carolina 27695-7905
Langmuir, 1999, 15 (2), pp 305–308
DOI: 10.1021/la9808418
Publication Date (Web): December 23, 1998
Copyright © 1999 American Chemical Society

Abstract

We have prepared a series of molecular models of porous glass using a recently developed procedure (Gelb, L. D.; Gubbins, K. E. Langmuir 1998, 14, 2097) that mimics the experimental processes that produce Vycor and controlled-pore glasses. We calculate nitrogen adsorption isotherms in these precisely characterized model glasses using Monte Carlo simulations. These isotherms are analyzed using the Barrett−Joyner−Halenda (BJH) method to yield pore size distributions, which are tested against exact pore size distributions directly measured from the pore structures. The BJH method yields overly sharp distributions that are systematically shifted (by about 1 nm) to lower pore sizes than those from our geometric method.

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History

  • Published In Issue January 19, 1999
  • Received July 8, 1998

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