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

被引：16

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

页码：346 / 366

页数：21

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