Quantum sieving in organic frameworks

被引：26

作者：

Garberoglio, Giovanni ^{[1
,2
]}

机构：

[1] Univ Trento, CNISM, I-38100 Povo, TN, Italy

[2] Univ Trento, Dipartimento Fis, I-38100 Povo, TN, Italy

来源：

CHEMICAL PHYSICS LETTERS | 2009年 / 467卷 / 4-6期

关键词：

ZEOLITIC IMIDAZOLATE FRAMEWORKS; WALLED CARBON NANOTUBES; HYDROGEN ADSORPTION; SEPARATION; METHANE; DESIGN; SITES; H-2; SIMULATIONS; ISOTOPES;

D O I：

10.1016/j.cplett.2008.11.065

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：

The isotopic separation factors for T-2/H-2 and D-2/H-2 mixtures adsorbed in various organic frameworks have been calculated using path integral Monte Carlo simulations. The results are in fair agreement with the available experimental data, and show a very strong dependence on temperature. The selectivity shows a less pronounced dependence on the external pressure, but different behaviours are found for different materials. They are analyzed from the point of view of the solid-fluid potential energy surface. (c) 2008 Elsevier B. V. All rights reserved.

引用

页码：270 / 275

页数：6

共 50 条

[1] Molecular screening of metal-organic frameworks for CO2 storage [J].

Babarao, Ravichandar ;

Jiang, Jianwen .

LANGMUIR, 2008, 24 (12) :6270-6278

[2] High-throughput synthesis of zeolitic imidazolate frameworks and application to CO2 capture [J].

Banerjee, Rahul ;

Phan, Anh ;

Wang, Bo ;

Knobler, Carolyn ;

Furukawa, Hiroyasu ;

O'Keeffe, Michael ;

Yaghi, Omar M. .

SCIENCE, 2008, 319 (5865) :939-943

[3] MOLECULAR-TRANSPORT IN SUBNANOMETER PORES - ZERO-POINT ENERGY, REDUCED DIMENSIONALITY AND QUANTUM SIEVING [J].

BEENAKKER, JJM ;

BORMAN, VD ;

KRYLOV, SY .

CHEMICAL PHYSICS LETTERS, 1995, 232 (04) :379-382

[4]

BONDARENKO S, 2007, STUDY ISOTOPIC EFFEC, P493

[5] PATH-INTEGRAL SIMULATIONS OF MIXED PARA-D-2 AND ORTHO-D-2 CLUSTERS - THE ORIENTATIONAL EFFECTS [J].

BUCH, V .

JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (10) :7610-7629

[6] A three-dimensional nanoporous flexible network of 'square-planar' copper(II) centres with an unusual topology [J].

Carlucci, L ;

Cozzi, N ;

Ciani, G ;

Moret, M ;

Proserpio, DM ;

Rizzato, S .

CHEMICAL COMMUNICATIONS, 2002, (13) :1354-1355

[7] PATH-INTEGRALS IN THE THEORY OF CONDENSED HELIUM [J].

CEPERLEY, DM .

REVIEWS OF MODERN PHYSICS, 1995, 67 (02) :279-355

[8] Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations [J].

Challa, SR ;

Sholl, DS ;

Johnson, JK .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (02) :814-824

[9] Light isotope separation in carbon nanotubes through quantum molecular sieving [J].

Challa, SR ;

Sholl, DS ;

Johnson, JK .

PHYSICAL REVIEW B, 2001, 63 (24)

[10] Reticular synthesis of microporous and mesoporous 2D covalent organic frameworks [J].

Cote, Adrien P. ;

El-Kaderi, Hani M. ;

Furukawa, Hiroyasu ;

Hunt, Joseph R. ;

Yaghi, Omar M. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (43) :12914-+

← 1 2 3 4 5 →