Molecular transport in nanopores with broad pore-size distribution

Wang, Fu Yang, Zhu, Zhong Hua and Rudolph, Victor (2008) Molecular transport in nanopores with broad pore-size distribution. AIChE Journal, 54 8: 2009-2023. doi:10.1002/aic.11520


Author Wang, Fu Yang
Zhu, Zhong Hua
Rudolph, Victor
Title Molecular transport in nanopores with broad pore-size distribution
Journal name AIChE Journal   Check publisher's open access policy
ISSN 0001-1541
1547-5905
Publication date 2008-08-01
Year available 2008
Sub-type Article (original research)
DOI 10.1002/aic.11520
Open Access Status Not yet assessed
Volume 54
Issue 8
Start page 2009
End page 2023
Total pages 15
Editor S. Padhye
Place of publication Hoboken, N.J., U.S.A.
Publisher John Wiley & Sons
Language eng
Subject C1
9611 Physical and Chemical Conditions of Water
0904 Chemical Engineering
Abstract A methodology is developed for molecular transport in nanopores, based on physical attributes requiring neither molecular dynamics simulations nor empi rical correlations. The proposed approach is reasonably rigorous yet easy to apply. The models extend the conventional theoretical framework(1-3) by eliminating key restrictive assumptions, such as uniform pore-size and hard-sphere molecules using several new mathematical treatments and the multisite potential equation,(4,5) making them more applicable to practical porous media. Importantly, one of the models reported using integral mean value theory develops an equation with the same format as a widely used formula with two empirical parameters, providing new, physical insights into the utility of this model. Literature data carbon tetrachloride and benzene transport in a commercial Ajax activated carbon are used as two case studies to demonstrate the applicability of the proposed methodology to practical systems, with good agreement between simulations and measurement data. (c) 2008 American Institute of Chemical Engineers.
Formatted abstract
A methodology is developed for molecular transport in nanopores, based on physical attributes requiring neither molecular dynamics simulations nor empirical correlations. The proposed approach is reasonably rigorous yet easy to apply. The models extend the conventional theoretical framework by eliminating key restrictive assumptions, such as uniform pore-size and hard-sphere molecules using several new mathematical treatments and the multisite potential equation, making them more applicable to practical porous media. Importantly, one of the models reported using integral mean value theory develops an equation with the same format as a widely used formula with two empirical parameters, providing new physical insights into the utility of this model. Literature data for carbon tetrachloride and benzene transport in a commercial Ajax activated carbon are used as two case studies to demonstrate the applicability of the proposed methodology to practical systems, with good agreement between simulations and measurement data.
© 2008 American Institute of Chemical Engineers
Keyword Adsorption
Complex fluids
Diffusion
Mathematical modeling
Porous media
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

 
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Created: Thu, 16 Apr 2009, 22:21:13 EST by Katherine Montagu on behalf of Faculty Of Engineering, Architecture & Info Tech