Mesopores present in inorganic barrier films have a unique structure since the bottom sides are blocked by underlying polymer substrates. Characterization of pore blockage by water condensation is important in understanding gas transport mechanisms because the pore blockage changes the transmission behavior of water vapor itself as well as other gases. In this study a water condensation behavior inside mesopores is investigated analytically and numerically. Appropriate modifications from the classical Kelvin equation-based solution are suggested to account for local and discrete molecular interactions and submolecular meniscus tip geometry. Grand canonical Monte Carlo simulations are also conducted to simulate the present problem and the result is compared with the analytical solutions.
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14 March 2010
Research Article|
March 09 2010
Analytical and molecular simulation study of water condensation behavior in mesopores with closed ends
Changsoo Jang;
Changsoo Jang
a)
Department of Mechanical Engineering,
University of Maryland
, College Park, Maryland 20742, USA
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Bongtae Han
Bongtae Han
Department of Mechanical Engineering,
University of Maryland
, College Park, Maryland 20742, USA
Search for other works by this author on:
a)
Author to whom correspondence should be addressed. Electronic address: [email protected].
J. Chem. Phys. 132, 104702 (2010)
Article history
Received:
December 08 2009
Accepted:
February 08 2010
Citation
Changsoo Jang, Bongtae Han; Analytical and molecular simulation study of water condensation behavior in mesopores with closed ends. J. Chem. Phys. 14 March 2010; 132 (10): 104702. https://doi.org/10.1063/1.3337914
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