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

共 45 条

[11] Intermolecular interactions as controlling factor for water sorption into polymer membranes [J].

Gugliuzza, A. ;

De Luca, G. ;

Tocci, E. ;

De Lorenzo, L. ;

Drioli, E. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (30) :8868-8878

[12] Study of the surface character as responsible for controlling interfacial forces at membrane-feed interface [J].

Gugliuzza, A. ;

Fabiano, R. ;

Garavaglia, M. G. ;

Spisso, A. ;

Drioli, E. .

JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2006, 303 (02) :388-403

[13] Evaluation of CO2 permeation through functional assembled mono-layers:: Relationships between structure and transport [J].

Gugliuzza, A ;

Drioli, E .

POLYMER, 2005, 46 (23) :9994-10003

[14] Role of additives in the water vapor transport through block co-poly(amide/ether) membranes: effects on surface and bulk polymer properties [J].

Gugliuzza, A ;

Drioli, E .

EUROPEAN POLYMER JOURNAL, 2004, 40 (10) :2381-2389

[15] New performance of a modified poly(amide-12-b-ethyleneoxide) [J].

Gugliuzza, A ;

Drioli, E .

POLYMER, 2003, 44 (07) :2149-2157

[16] New breathable and waterproof coatings for textiles: effect of an aliphatic polyurethane on the formation of PEEK-WC porous membranes [J].

Gugliuzza, A ;

Clarizia, G ;

Golemme, G ;

Drioli, E .

EUROPEAN POLYMER JOURNAL, 2002, 38 (02) :235-242

[17] DYNAMICS OF SMALL MOLECULES IN BULK POLYMERS [J].

GUSEV, AA ;

MULLERPLATHE, F ;

VANGUNSTEREN, WF ;

SUTER, UW .

ATOMISTIC MODELING OF PHYSICAL PROPERTIES, 1994, 116 :207-247

[18] DYNAMICS OF LIGHT GASES IN RIGID MATRICES OF DENSE POLYMERS [J].

GUSEV, AA ;

ARIZZI, S ;

SUTER, UW ;

MOLL, DJ .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (03) :2221-2227

[19] DYNAMICS OF SMALL MOLECULES IN DENSE POLYMERS SUBJECT TO THERMAL MOTION [J].

GUSEV, AA ;

SUTER, UW .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (03) :2228-2234

[20]

Haile JM., 1992, MOL DYNAMICS SIMULAT

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