Citation: PENG Xuan, ZHANG Qin-Xue, CHENG Xuan, CAO Da-Peng. Adsorption and Separation of CO₂/CH₄/N₂ Binary Mixtures in an Ordered Mesoporous Carbon Material CMK-3[J]. Acta Physico-Chimica Sinica, ;2011, 27(09): 2065-2071. doi: 10.3866/PKU.WHXB20110919 shu

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

1.
1. College of Information Science and Technology, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
2. College of Science, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
3. Division of Molecular and Materials Simulation, State Key Laboratory of Organic-Inorganic Composites,Beijing University of Chemical Technology, Beijing 100029, P. R. China

Received Date: 20 April 2011
Available Online: 12 July 2011
Fund Project: 国家自然科学基金(20806003)资助项目 (20806003)

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 N₂-CO₂ system under the same conditions. This indicates that the CMK-3 material is a promising candidate for natural gas separation.
- Grand canonical ensemble Monte Carlo,
- Adsorption selectivity,
- Ideal adsorption solution theory,
- Methane,
- Carbon dioxide,
- Nitrogen,
- CMK-3
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Adsorption and Separation of CO2/CH4/N2 Binary Mixtures in an Ordered Mesoporous Carbon Material CMK-3

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