Stochastic Reconstruction of Mixed-Matrix Membranes and Evaluation of Effective Permeability

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F14%3A00428090" target="_blank" >RIV/61388955:_____/14:00428090 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/67985858:_____/14:00428090 RIV/60461373:22310/14:43897138

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.commatsci.2014.03.003" target="_blank" >http://dx.doi.org/10.1016/j.commatsci.2014.03.003</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.commatsci.2014.03.003" target="_blank" >10.1016/j.commatsci.2014.03.003</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Stochastic Reconstruction of Mixed-Matrix Membranes and Evaluation of Effective Permeability

Popis výsledku v původním jazyce

Microstructures of three mixed-matrix membrane samples made of polyimide and silicalite-1 particles were reconstructed using a stochastic reconstruction procedure. 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.

Název v anglickém jazyce

Stochastic Reconstruction of Mixed-Matrix Membranes and Evaluation of Effective Permeability

Popis výsledku anglicky

Microstructures of three mixed-matrix membrane samples made of polyimide and silicalite-1 particles were reconstructed using a stochastic reconstruction procedure. 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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/GAP204%2F11%2F1206" target="_blank" >GAP204/11/1206: Použití PFG NMR, stochastické rekonstrukce a molekulární simulace pro stanovení transportně-strukturních vlastností pokročilých porézních materiálů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Computational Materials Science

ISSN

0927-0256

e-ISSN

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Svazek periodika

89

Číslo periodika v rámci svazku

JUN 15

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

15

Strana od-do

142-156

Kód UT WoS článku

000335900300021

EID výsledku v databázi Scopus

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