Pure and Modified Co-Poly(amide-12-b-ethylene oxide) Membranes for Gas Separation Studied by Molecular Investigations

被引：13
|
作者：
De Lorenzo, Luana [1 ]
Tocci, Elena [1 ]
Gugliuzza, Annarosa [1 ]
Drioli, Enrico [1 ,2 ,3 ]
机构：
[1] Univ Calabria, CNR, Inst Membrane Technol ITM, I-87030 Arcavacata Di Rende, CS, Italy
[2] Univ Calabria, Dept Chem Engn & Mat, I-87030 Arcavacata Di Rende, CS, Italy
[3] Hanyang Univ, Coll Engn, WCU Energy Engn Dept, Seoul 133791, South Korea
来源：
MEMBRANES | 2012年 / 2卷 / 03期
关键词：
PEBAX; membrane; gas separation; molecular dynamics simulations;
D O I：
10.3390/membranes2030346
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
This paper deals with a theoretical investigation of gas transport properties in a pure and modified PEBAX block copolymer membrane with N-ethyl-o/p-toluene sulfonamide (KET) as additive molecules. Molecular dynamics simulations using COMPASS force field, Gusev-Suter Transition State Theory (TST) and Monte Carlo methods were used. Bulk models of PEBAX and PEBAX/ KET in different copolymer/additive compositions were assembled and analyzed to evaluate gas permeability and morphology to characterize structure-performance relationships.
引用
收藏
页码：346 / 366
页数：21
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