Počet záznamů: 1

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

SYSNO ASEP	0428090
Druh ASEP	J - Článek v odborném periodiku
Zařazení RIV	J - Článek v odborném periodiku
Poddruh J	Článek ve WOS
Název	Stochastic Reconstruction of Mixed-Matrix Membranes and Evaluation of Effective Permeability
Tvůrce(i)	Čapek, P. (CZ) Veselý, M. (CZ) Bernauer, B. (CZ) Sysel, P. (CZ) Hejtmánek, Vladimír (UCHP-M)_{RID, SAI} Kočiřík, Milan (UFCH-W)_{RID, ORCID} Brabec, Libor (UFCH-W)_{RID, ORCID} Prokopová, Olga (UFCH-W)
Zdroj.dok.	Computational Materials Science. - : Elsevier - ISSN 0927-0256 Roč. 89, JUN 15 (2014), s. 142-156
Poč.str.	15 s.
Jazyk dok.	eng - angličtina
Země vyd.	NL - Nizozemsko
Klíč. slova	microstructural descriptor ; simulated annealing ; sample-spanning cluster ; random walk simulation ; enhanced permeability
Vědní obor RIV	CF - Fyzikální chemie a teoretická chemie
CEP	GAP204/11/1206 GA ČR - Grantová agentura ČR
Institucionální podpora	UCHP-M - RVO:67985858 ; UFCH-W - RVO:61388955
UT WOS	000335900300021
DOI	10.1016/j.commatsci.2014.03.003
Anotace	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.
Pracoviště	Ústav chemických procesů
Kontakt	Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227
Rok sběru	2015

Počet záznamů: 1