A computational study of gas molecule transport in a polymer/nanoporous layered silicate nanocomposite membrane material

被引：20

作者：

Konduri, Suchitra ^{[1
]}

Nair, Sankar ^{[1
]}

机构：

[1] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2007年 / 111卷 / 05期

关键词：

D O I：

10.1021/jp066980c

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Polymers containing nanoporous, high-aspect-ratio, inorganic layered materials are being investigated as candidates for overcoming the selectivity versus permeability trade-offs imposed by conventional polymeric membranes used in gas separations. We report the first computational investigation of the transport of gas molecules (in particular helium, hydrogen, nitrogen, and oxygen) in a polydimethylsiloxane/porous layered silicate AMH-3 nanocomposite system as a function of its composition, and also study the effects of polymer-inorganic interactions on the polymer dynamics. The performance of the nanocomposite membrane material is found to be substantially enhanced over the polymeric material for certain separations involving the four molecules studied. The transport properties were found to be strongly influenced by the molecular sieving properties of the AMH-3 layer and the segmental mobility of the polymer in confinement between the inorganic layers. A comparison with the resistances-in-series model for transport through a bulk composite membrane further illustrates the potential for enhanced performance using polymer/porous layer nanocomposite membranes.

引用

页码：2017 / 2024

页数：8

共 48 条

[31] The origins of fast segmental dynamics in 2 nm thin confined polymer films [J].

Manias, E ;

Kuppa, V .

EUROPEAN PHYSICAL JOURNAL E, 2002, 8 (02) :193-199

[32]

Meier W.M., 1996, ATLAS ZEOLITE STRUCT, V4th

[33]

Merkel TC, 2000, J POLYM SCI POL PHYS, V38, P415, DOI 10.1002/(SICI)1099-0488(20000201)38:3<415::AID-POLB8>3.0.CO

[34]

2-Z

[35] COMPUTATIONAL EVIDENCE FOR ANOMALOUS DIFFUSION OF SMALL MOLECULES IN AMORPHOUS POLYMERS [J].

MULLERPLATHE, F ;

ROGERS, SC ;

VANGUNSTEREN, WF .

CHEMICAL PHYSICS LETTERS, 1992, 199 (3-4) :237-243

[36] Estimation of inorganic gas permeability through an MFI-type silicalite membrane by a molecular simulation technique combined with permeation theory [J].

Nagumo, R ;

Takaba, H ;

Suzuki, S ;

Nakao, S .

MICROPOROUS AND MESOPOROUS MATERIALS, 2001, 48 (1-3) :247-254

[37] Transport diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in silicalite from atomistic simulations [J].

Skoulidas, AI ;

Sholl, DS .

JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (19) :5058-5067

[38]

SKOULIDAS AI, 2002, PHYS REV LETT, V89

[39] A molecular dynamics simulation study of nanoparticle interactions in a model polymer-nanoparticle composite [J].

Smith, JS ;

Bedrov, D ;

Smith, GD .

COMPOSITES SCIENCE AND TECHNOLOGY, 2003, 63 (11) :1599-1605

[40]

STEM SA, 1994, J MEMBRANE SCI, V94, P1

← 1 2 3 4 5 →