Reconstructed 3D Microstructure and Effective Diffusivity of a Zeolite-Polyimide Mixed Matrix Membrane

0347262 - ÚCHP 2011 CZ eng C - Konferenční příspěvek (zahraniční konf.)
Čapek, P. - Hejtmánek, Vladimír - Fryčová, M. - Sysel, P. - Kočiřík, Milan - Brabec, Libor - Zikánová, Arlette - Bernauer, B. - Fíla, V.
Reconstructed 3D Microstructure and Effective Diffusivity of a Zeolite-Polyimide Mixed Matrix Membrane.
Summaries 2. Praha: Process Engineering Publisher, 2010, s. 443. ISBN 978-80-02-02247-3.
[International Congress of Chemical and Process Engineering CHISA 2010 and 7th European Congress of Chemical Engineering ECCE-7 /19./. Prague (CZ), 28.08.2010-01.09.2010]
Grant CEP: GA ČR GA203/09/1353
Výzkumný záměr: CEZ:AV0Z40720504; CEZ:AV0Z40400503
Klíčová slova: simulation * effective diffusivity * membrane
Kód oboru RIV: CI - Průmyslová chemie a chemické inženýrství
www.chisa.cz/2010, www.ecce7.com

In our work we focused on a two-phase system consisting of the polyimide matrix synthesized from the monomers 4,4’-(hexafluoroisopropylidene)diphtalic anhydride (6FDA) and 4,4’-oxydianiline (ODA), and silicalite-1 [3, 4]. Its microstructure on the scale capturing the morphology of silicalite particles was reproduced by means of stochastic reconstruction. Then, effective diffusivity of an arbitrary fluid in the reconstructed composite material was determined by exploiting random walk simulation. Resulting values were compared with the corresponding values obtained using two traditional correlations for conductivity of composite materials. Image processing and analysis as the first step of stochastic reconstruction was a bit inexact in terms of an estimation of the volume fractions of both phases.
Trvalý link: http://hdl.handle.net/11104/0188073