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. doi: 10.3866/PKU.WHXB20110919

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.

[1]	Hanyu Xu, Xuedan Song, Qing Zhang, Chang Yu, Jieshan Qiu. Mechanistic Insights into Water-Mediated CO₂ Electrochemical Reduction Reactions on Cu@C₂N Catalysts: A Theoretical Study [J]. Acta Phys. -Chim. Sin., 2024, 40(1): 2303040-.
[2]	Zhanjun He, Min Huang, Tiejun Lin, Liangshu Zhong. Recent Advances in Dry Reforming of Methane via Photothermocatalysis [J]. Acta Phys. -Chim. Sin., 2023, 39(9): 2212060-0.
[3]	Qian Yin, Huiting Song, Ming Xu, Hong Yan, Yufei Zhao, Xue Duan. Thermal Decomposition of Carbonates Coupled with Dry Reforming of Methane to Synthesize High-Value Products: A Perspective [J]. Acta Phys. -Chim. Sin., 2023, 39(3): 2210026-0.
[4]	Jingxue Li, Yue Yu, Siran Xu, Wenfu Yan, Shichun Mu, Jia-Nan Zhang. Function of Electron Spin Effect in Electrocatalysts [J]. Acta Phys. -Chim. Sin., 2023, 39(12): 2302049-.
[5]	Jun Xie, Yuheng Jiang, Siyang Li, Peng Xu, Qiang Zheng, Xiaoyu Fan, Hailin Peng, Zhiyong Tang. Stable Photocatalytic Coupling of Methane to Ethane with Water Vapor Using TiO₂ Supported Ultralow Loading AuPd Nanoparticles [J]. Acta Phys. -Chim. Sin., 2023, 39(10): 2306037-.
[6]	Yuke Song, Wenfu Xie, Mingfei Shao. Recent Advances in Integrated Electrode for Electrocatalytic Carbon Dioxide Reduction [J]. Acta Phys. -Chim. Sin., 2022, 38(6): 2101028-.
[7]	Yadong Du, Xiangtong Meng, Zhen Wang, Xin Zhao, Jieshan Qiu. Graphene-Based Catalysts for CO₂ Electroreduction [J]. Acta Phys. -Chim. Sin., 2022, 38(2): 2101009-.
[8]	Xiaoxiong Huang, Yingjie Ma, Linjie Zhi. Ultrathin Nitrogenated Carbon Nanosheets with Single-Atom Nickel as an Efficient Catalyst for Electrochemical CO₂ Reduction [J]. Acta Phys. -Chim. Sin., 2022, 38(2): 2011050-.
[9]	Liang Ding, Tang Tang, Jin-Song Hu. Recent Progress in Proton-Exchange Membrane Fuel Cells Based on Metal-Nitrogen-Carbon Catalysts [J]. Acta Phys. -Chim. Sin., 2021, 37(9): 2010048-.
[10]	Zejian Wang, Jiajia Hong, Sue-Faye Ng, Wen Liu, Junjie Huang, Pengfei Chen, Wee-Jun Ong. Recent Progress of Perovskite Oxide in Emerging Photocatalysis Landscape: Water Splitting, CO₂ Reduction, and N₂ Fixation [J]. Acta Phys. -Chim. Sin., 2021, 37(6): 2011033-.
[11]	Zuzeng Qin, Jing Wu, Bin Li, Tongming Su, Hongbing Ji. Ultrathin Layered Catalyst for Photocatalytic Reduction of CO₂ [J]. Acta Phys. -Chim. Sin., 2021, 37(5): 2005027-.
[12]	Yichen Meng, Siyu Kuang, Hai Liu, Qun Fan, Xinbin Ma, Sheng Zhang. Recent Advances in Electrochemical CO₂ Reduction Using Copper-Based Catalysts [J]. Acta Phys. -Chim. Sin., 2021, 37(5): 2006034-.
[13]	Xuehua Zhang, Yanwei Cao, Qiongyao Chen, Chaoren Shen, Lin He. Recent Progress in Homogeneous Reductive Carbonylation of Carbon Dioxide with Hydrogen [J]. Acta Phys. -Chim. Sin., 2021, 37(5): 2007052-.
[14]	Jihong Zhang, Dichang Zhong, Tongbu Lu. Co(Ⅱ)-Based Molecular Complexes for Photochemical CO₂ Reduction [J]. Acta Phys. -Chim. Sin., 2021, 37(5): 2008068-.
[15]	Qi Yuan, Hao Yang, Miao Xie, Tao Cheng. Theoretical Research on the Electroreduction of Carbon Dioxide [J]. Acta Phys. -Chim. Sin., 2021, 37(5): 2010040-.

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

PDF

Like

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Metrics

Recommended 0

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

PDF

Like

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Metrics

Recommended 0

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