About: Stochastic reconstruction of mixed-matrix membranes and evaluation of effective permeability

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S0927025614001542
Description	Microstructures of three mixed-matrix membrane samples made of polyimide and silicalite-1 particles were reconstructed using a stochastic reconstruction procedure. The samples differed in the volume fractions of silicalite-1 particles as follows: 0.166, 0.310 and 0.371. The reconstruction revealed the existence of percolation clusters of silicalite-1 particles in the two samples with the volume fraction of silicalite-1 greater than 0.3. In contrast, only the reconstructed microstructure of the first sample contained small clusters of silicalite-1 particles, which did not percolate along any direction. The results of this reconstruction were tested by simulating the random walk of CO2 molecules in the reconstructed bodies and by predicting the effective permeability of CO2. Both original and reconstructed membranes revealed a similar enhanced effective permeability, which exceeded predictions based on the effective medium approximations. Therefore, we suggest that clustering of the silicalite-1 particles was the primary cause of the permeability increase. Microstructures of three mixed-matrix membrane samples made of polyimide and silicalite-1 particles were reconstructed using a stochastic reconstruction procedure. The samples differed in the volume fractions of silicalite-1 particles as follows: 0.166, 0.310 and 0.371. The reconstruction revealed the existence of percolation clusters of silicalite-1 particles in the two samples with the volume fraction of silicalite-1 greater than 0.3. In contrast, only the reconstructed microstructure of the first sample contained small clusters of silicalite-1 particles, which did not percolate along any direction. The results of this reconstruction were tested by simulating the random walk of CO2 molecules in the reconstructed bodies and by predicting the effective permeability of CO2. Both original and reconstructed membranes revealed a similar enhanced effective permeability, which exceeded predictions based on the effective medium approximations. Therefore, we suggest that clustering of the silicalite-1 particles was the primary cause of the permeability increase. (en)
Title	Stochastic reconstruction of mixed-matrix membranes and evaluation of effective permeability Stochastic reconstruction of mixed-matrix membranes and evaluation of effective permeability (en)
skos:prefLabel	Stochastic reconstruction of mixed-matrix membranes and evaluation of effective permeability Stochastic reconstruction of mixed-matrix membranes and evaluation of effective permeability (en)
skos:notation	RIV/60461373:22310/14:43897138!RIV15-GA0-22310___
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP204/11/1206)
http://linked.open...iv/cisloPeriodika	2014
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Sysel, Petr Bernauer, Bohumil Čapek, Pavel Veselý, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	47557
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/14:43897138
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Microstructural descriptor Simulated annealing Sample-spanning cluster Random walk simulation Enhanced permeability (en)
http://linked.open.../riv/klicoveSlovo	Microstructural descriptor Simulated annealing Sample-spanning cluster Random walk simulation Enhanced permeability
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[D6E71C1A51A1]
http://linked.open...i/riv/nazevZdroje	Computational Materials Science
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...vavai/riv/projekt	Use of PFG NMR, stochastic reconstruction and molecular simulation to estimate transport-related texture characteristics of advanced porous materials
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	89
http://linked.open...iv/tvurceVysledku	Prokopová, Olga Sysel, Petr Kočiřík, Milan Veselý, Martin Bernauer, Bohumil Brabec, Libor Hejtmánek, Vladimír Čapek, Pavel
issn	0927-0256
number of pages	15 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.commatsci.2014.03.003
http://localhost/t...ganizacniJednotka	22310

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