Journal
JOURNAL OF MEMBRANE SCIENCE
Volume 348, Issue 1-2, Pages 204-212Publisher
ELSEVIER
DOI: 10.1016/j.memsci.2009.11.002
Keywords
Molecular simulations; Diffusion; Separation; Polyamide-imides
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Funding
- National Nature Science Foundation of China [20976145]
- Nature Science Foundation of Fujian Province of China [2009J01040]
- Doctoral Program of Higher Education [2005038401]
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Molecular simulation techniques have been adopted for the first time for understanding the structure-property relationships of three highly fluorinated polyamide-imide (PAI) isomers (6FDA/8p, 6FDA/8m and 6FDA/12p). The PAIs being considered in this work are based on 2,2-bis(3,4-decarboxyphenyl) hexafluoropropane dianhydride (6FDA) and N,N-bis(amino-phenyl)-perfluoroalkane-alpha,omega-dicarboxamide diamines. The density, fractional free volume (FFV) and glass transition temperature (T-g) of the PAIs are calculated to investigate the microstructure of the PAIs and the structural dependence of sorption and diffusion properties of CO2/CH4 pair. The 6FDA/8p and 6FDA/12p give both higher permeability and permselectivity than the 6FDA/8m because the rigid para-isomer functions as a molecular sieve. With a longer length of oligo(tetrafluoroethene) segment, the 6FDA/12p has permeability and selectivity greater than 6FDA/8p. Hence, this study may provide a guideline for designing PAI membranes to have desirable properties of permeability and permselectivity. (C) 2009 Elsevier B.V. All rights reserved.
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