• Journal of Inorganic Materials
  • Vol. 35, Issue 4, 469 (2020)
Xiaoqing LU and Maohuai WANG
Author Affiliations
  • School of Materids Science and Engineering, China University of Petroleum, Qingdao 266580, China
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    DOI: 10.15541/jim20190214 Cite this Article
    Xiaoqing LU, Maohuai WANG. Theoretical Investigation on Adsorption and Separation of CO2/N2 in Hybrid Ultramicroporous Materials[J]. Journal of Inorganic Materials, 2020, 35(4): 469 Copy Citation Text show less
    References

    [1] R KARL T, E TRENBERTH K. Modern global climate change. Science, 302, 1719-1723(2003).

    [2] Q LU X, L JIN D, X WEI S et al. Strategies to enhance CO2 capture and separation based on engineering absorbent materials. Journal of Materials Chemistry A, 3, 12118-12132(2015).

    [3] A LYNGFELT. Carbon capture and storage update. Energy & Environmental Science, 7, 130-189(2014).

    [4] H WANG M, H WEI S, H WU Z et al. Alkylamine functionalized triphenylamine-based covalent organic frameworks for high- efficiency CO2 capture and separation over N2. Materials Letters, 230, 28-31(2018).

    [5] O SHEKHAH, Y BELMABKHOUT, Z CHEN et al. Made-to- order metal-organic frameworks for trace carbon dioxide removal and air capture. Nature Communications, 5, 4228(2011).

    [6] T ROCHELLE G. Amine scrubbing for CO2 capture. Science, 325, 1652-1654(2009).

    [7] H FURUKAWA, N KO, G YONG B et al. Ultrahigh porosity in metal-organic frameworks. Science, 329, 424-428(2010).

    [8] Y LIN, C KONG, Q ZHANG et al. Metal-organic frameworks for carbon dioxide capture and methane storage. Advanced Energy Materials, 7, 1601296(2017).

    [9] S CHOI, T WATANABE, H BAE T et al. Modification of the Mg/DOBDC MOF with amines to enhance CO2 adsorption from ultradilute gases. The Journal of Physical Chemistry Letters, 3, 1136-1141(2012).

    [10] M MCDONALD T, R LEE W, A MASON J et al. Capture of carbon dioxide from air and flue gas in the alkylamine-appended metal-organic framework mmen-Mg2(dobpdc). Journal of the American Chemical Society, 134, 7056-7065(2012).

    [11] E BIEN C, K CHEN K, C CHIEN S et al. Bioinspired metal- organic framework for trace CO2 tapture. Journal of the American Chemical Society, 140, 12662-12666(2018).

    [12] X XUE D, J CAIRNS A, Y BELMABKHOUT et al. Tunable rare-earth fcu-MOFs: a platform for systematic enhancement of CO2 adsorption energetics and uptake. Journal of the American Chemical Society, 135, 7660-7667(2013).

    [13] A HANAUER D, Q MEI, B MALIN et al. Porous materials with optimal adsorption thermodynamics and kinetics for CO2 separation. Nature, 495, 80-84(2013).

    [14] J POTOFF J, I SIEPMANN J. Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen. AIChE Journal, 47, 1676-1682(2001).

    [15] L MAYO S, D OLAFSON B, A GODDARD W. DREIDING: a generic force field for molecular simulations. Journal of Physical Chemistry, 94, 8897-8909(1990).

    [16] K RAPPÉ A, J CASEWIT C, K COLWELL et al. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. Journal of the American Chemical Society, 114, 10024-10035(1992).

    [17] A GUPTA, S CHEMPATH, J SANBORN M et al. Object- oriented programming paradigms for molecular modeling. Molecular Simulation, 29, 29-46(2003).

    [18] B DELLEY. From molecules to solids with the DMol3 approach. Journal of Chemical Physics, 113, 7756-7764(2000).

    [19] P PERDEW J, K BURKE, M ERNZERHOF. Generalized gradient approximation made simple. Physical Review Letters, 77, 3865-3868(1996).

    [20] S GRIMME, J ANTONY, S EHRLICH et al. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. The Journal of Chemical Physics, 132, 154104(2010).

    [21] L SARKISOV, A HARRISON. Computational structure characterisation tools in application to ordered and disordered porous materials. Molecular Simulation, 37, 1248-1257(2011).

    [22] T DÜREN, F MILLANGE, G FÉREY et al. Calculating geometric surface areas as a characterization tool for metal- organic frameworks. The Journal of Physical Chemistry C, 111, 15350-15356(2007).

    [23] Y BELMABKHOUT, V GUILLERM, M EDDAOUDI. Low concentration CO2 capture using physical adsorbents: are metal- organic frameworks becoming the new benchmark materials?. Chemical Engineering Journal, 296, 386-397(2016).

    [24] A SAYARI, Y BELMABKHOUT, R SERNA-GUERRERO. Flue gas treatment. via CO2 adsorption. Chemical Engineering Journal, 171, 760-774(2011).

    [25] A ZIAEE, D CHOVAN, M LUSI et al. Theoretical optimization of pore size and chemistry in SIFSIX-3-M hybrid ultramicroporous materials. Crystal Growth & Design, 16, 3890-3897(2016).

    Xiaoqing LU, Maohuai WANG. Theoretical Investigation on Adsorption and Separation of CO2/N2 in Hybrid Ultramicroporous Materials[J]. Journal of Inorganic Materials, 2020, 35(4): 469
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