二氧化碳/甲烷/氮气二元混合物在有序介孔碳材料CMK-3 中的吸附和分离

doi:10.3866/PKU.WHXB20110919

Acta Phys. -Chim. Sin. ›› 2011, Vol. 27 ›› Issue (09): 2065-2071.doi: 10.3866/PKU.WHXB20110919

• THEORETICAL AND COMPUTATIONAL CHEMISTRY • Previous Articles Next Articles

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

PENG Xuan¹, ZHANG Qin-Xue^2,3, CHENG Xuan³, CAO Da-Peng³

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:2011-04-20 Revised:2011-06-08 Published:2011-08-26
Contact: PENG Xuan E-mail:pengxuan@mail.buct.edu.cn
Supported by:
The project was supported by the National Natural Science Foundation of China (20806003).

Abstract

Abstract: 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.

Key words: Grand canonical ensemble Monte Carlo, Adsorption selectivity, Ideal adsorption solution theory, Methane, Carbon dioxide, Nitrogen, CMK-3

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 Phys. -Chim. Sin., 2011, 27(09): 2065-2071.

References

(1) Jun, S.; Ryoo, R. J. Am. Chem. Soc. 2000, 122, 10712.

(2) Kyotani, T.; Sonobe, N.; Tomita, A. Nature 1988, 331, 331.

(3) Lee, J.; Han, S.; Hyeon, T. J. Mater. Chem. 2004, 14, 347.
(4) Joo, S. H.; Ryoo, R.; Kruk, M. J. Phys. Chem. B. 2002, 106, 4640.

(5) Zhou, L.; Liu, X.W.;Wang, N.;Wang, Z.; Zhou, Y. P. Chem. Phys. Lett. 2005, 413, 6.

(6) Xia, K.; Gao, Q.;Wu, C.; Song, S.; Ruan, M. Carbon 2007, 45, 1989.

(7) Monk, J.; Singh, R.; Hung, F. J. Phys. Chem. C 2011, 115, 3034.

(8) Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon Press: Oxford, 1987; pp 110-139.
(9) Peng, X.;Wang,W. C.; Xue, R. S.; Shen, Z. M. AIChE J. 2006, 52, 994.

(10) Myers, A. L.; Prausnitz, J. M. AIChE J. 1965, 11, 121.

(11) Zhou, C.; Hall, F.; Gasem, K.; Robinson, J. Ind. Eng. Chem. Res. 1994, 33, 1280.

(12) Rangarajan, B.; Lira, C. T.; Subramanian, R. AIChE J. 1995, 41, 838.

(13) Ottiger, S.; Pini, R.; Storti, G.; Mazzotti, M. Langmuir 2008, 24, 9531.

(14) Peng, X.; Cao, D. P.;Wang,W. C. Ind. Eng. Chem. Res. 2010, 49, 8787.

(15) Peng, X.; Cao, D. P.;Wang,W. C. Chem. Eng. Sci. 2011, 66, 2266.

(16) Peng, X.; Zhou, J.;Wang,W. C.; Cao, D. P. Carbon 2010, 48, 3760.

(17) Peng, X.; Cao, D. P.;Wang,W. C. Langmuir 2009, 25, 10863.

(18) Peng, X.; Cao, D. P.;Wang,W. C. J. Phys. Chem. C 2008, 112, 13024.

(19) Peng, X.; Cao, D. P.; Zhao, J. S. Sep. Purif. Technol. 2009, 68, 50.

(20) Gordon, P. A.; Saeger, R. B. Ind. Eng. Chem. Res. 1999, 38, 4647.

(21) Cao, D. P.;Wang,W. C.; Duan, X. J. Colloid Interface Sci. 2002, 254, 1.

(22) Peng, X.; Zhao, J. S.; Cao, D. P. J. Colloid Interface Sci. 2007, 310, 391.

(23) Nguyen, T. X.; Bae, J.;Wang, Y.; Bhatia, S. K. Langmuir 2009, 25, 431.
(24) Sudibandriyo, M.; Pan, Z. J.; Fitzgerald, J. E.; Robinson, R. L., Jr.; Gasem, K. A. M. Langmuir 2003, 19, 5323.

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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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