Adsorption and Separation of CO2/CH4/N2 Binary Mixtures in an Ordered Mesoporous Carbon Material CMK-3

被引：5

作者：

Peng Xuan ^{[1
]}

Zhang Qin-Xue ^{[2
,3
]}

Cheng Xuan ^{[3
]}

Cao Da-Peng ^{[3
]}

机构：

[1] Beijing Univ Chem Technol, Coll Informat Sci & Technol, Beijing 100029, Peoples R China

[2] Beijing Univ Chem Technol, Coll Sci, Beijing 100029, Peoples R China

[3] Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Div Mol & Mat Simulat, Beijing 100029, Peoples R China

来源：

ACTA PHYSICO-CHIMICA SINICA | 2011年 / 27卷 / 09期

基金：

中国国家自然科学基金;

关键词：

Grand canonical ensemble Monte Carlo; Adsorption selectivity; Ideal adsorption solution theory; Methane; Carbon dioxide; Nitrogen; CMK-3; MONTE-CARLO-SIMULATION; HYDROGEN STORAGE; METHANE; DIOXIDE; GAS; H-2; N-2; CH4; CO2;

D O I：

10.3866/PKU.WHXB20110919

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 adsorption and separation of natural gas in the ordered mesoporous carbon material CMK-3 was investigated by molecular simulation and adsorption theory. Grand canonical ensemble Monte Carlo (GCMC) simulations show that a maximum excess uptake of 10.07 and 14.85 mmol.g(-1) is obtained at the optimum temperature and pressure of 208 K, 4 MPa for CH4 and 298 K, 6 MPa for CO2 adsorption, respectively. Based on the dual-site Langmuir-Freundlich (DSLF) model, ideal adsorption solution theory (IAST) was used to predict the adsorption and separation of binary mixtures. The adsorption selectivity of S-CO2/CH4 is approximately the same as that of S-CH4/N2, with a value of about 3 at 298 K and 4 MPa while the highest CO2 selectivity of 7.5 was found in the N-2-CO2 system under the same conditions. This indicates that the CMK-3 material is a promising candidate for natural gas separation.

引用

页码：2065 / 2071

页数：7

共 24 条

[1]

ALLEN M.P., 1987, Computer Simulation of Liquids, P110

[2] Grand canonical Monte Carlo simulation for determination of optimum parameters for adsorption of supercritical methane in pillared layered pores [J].

Cao, DP ;

Wang, WC ;

Duan, X .

JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2002, 254 (01) :1-7

[3] Molecular modeling of adsorptive energy storage: Hydrogen storage in single-walled carbon nanotubes [J].

Gordon, PA ;

Saeger, PB .

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1999, 38 (12) :4647-4655

[4] Evidence for general nature of pore interconnectivity in 2-dimensional hexagonal mesoporous silicas prepared using block copolymer templates [J].

Joo, SH ;

Ryoo, R ;

Kruk, M ;

Jaroniec, M .

JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (18) :4640-4646

[5] Synthesis of new, nanoporous carbon with hexagonally ordered mesostructure [J].

Jun, S ;

Joo, SH ;

Ryoo, R ;

Kruk, M ;

Jaroniec, M ;

Liu, Z ;

Ohsuna, T ;

Terasaki, O .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (43) :10712-10713

[6] FORMATION OF HIGHLY ORIENTATED GRAPHITE FROM POLYACRYLONITRILE BY USING A TWO-DIMENSIONAL SPACE BETWEEN MONTMORILLONITE LAMELLAE [J].

KYOTANI, T ;

SONOBE, N ;

TOMITA, A .

NATURE, 1988, 331 (6154) :331-333

[7] Synthesis of new nanoporous carbon materials using nanostructured silica materials as templates [J].

Lee, J ;

Han, S ;

Hyeon, T .

JOURNAL OF MATERIALS CHEMISTRY, 2004, 14 (04) :478-486

[8] Effects of Pore Size and Pore Loading on the Properties of Ionic Liquids Confined Inside Nanoporous CMK-3 Carbon Materials [J].

Monk, Joshua ;

Singh, Ramesh ;

Hung, Francisco R. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (07) :3034-3042

[9] THERMODYNAMICS OF MIXED-GAS ADSORPTION [J].

MYERS, AL ;

PRAUSNITZ, JM .

AICHE JOURNAL, 1965, 11 (01) :121-+

[10] On the Strength of the Hydrogen-Carbon Interaction as Deduced from Physisorption [J].

Nguyen, T. X. ;

Bae, J. -S. ;

Wang, Y. ;

Bhatia, S. K. .

LANGMUIR, 2009, 25 (08) :4314-4319

← 1 2 3 →