參考文獻 |
1. Reiner, D.M., Learning through a portfolio of carbon capture and storage demonstration projects. Nature Energy, 2016. 1.
2. Zimmerman, C.M., A. Singh, and W.J. Koros, Tailoring mixed matrix composite membranes for gas separations. Journal of Membrane Science, 1997. 137(1-2): p. 145-154.
3. Robeson, L.M., The upper bound revisited. Journal of Membrane Science, 2008. 320(1-2): p. 390-400.
4. Shah, M., M.C. McCarthy, S. Sachdeva, A.K. Lee, and H.K. Jeong, Current Status of Metal-Organic Framework Membranes for Gas Separations: Promises and Challenges. Industrial & Engineering Chemistry Research, 2012. 51(5): p. 2179-2199.
5. Baker, R.W., Future directions of membrane gas separation technology. Industrial & Engineering Chemistry Research, 2002. 41(6): p. 1393-1411.
6. Alvaro, M., E. Carbonell, B. Ferrer, F.X. Llabres i Xamena, and H. Garcia, Semiconductor behavior of a metal-organic framework (MOF). Chemistry, 2007. 13(18): p. 5106-12.
7. Xamena, F.X.L.I., A. Abad, A. Corma, and H. Garcia, MOFs as catalysts: Activity, reusability and shape-selectivity of a Pd-containing MOF. Journal of Catalysis, 2007. 250(2): p. 294-298.
8. Caro, J., Are MOF membranes better in gas separation than those made of zeolites? Current Opinion in Chemical Engineering, 2011. 1(1): p. 77-83.
9. Park, K.S., Z. Ni, A.P. Cote, J.Y. Choi, R. Huang, F.J. Uribe-Romo, H.K. Chae, M. O′Keeffe, and O.M. Yaghi, Exceptional chemical and thermal stability of zeolitic imidazolate frameworks. Proceedings of the National Academy of Sciences of the United States of America, 2006. 103(27): p. 10186-10191.
10. Kaye, S.S., A. Dailly, O.M. Yaghi, and J.R. Long, Impact of preparation and handling on the hydrogen storage properties of Zn4O(1,4-benzenedicarboxylate)3 (MOF-5). Journal of the American Chemical Society, 2007. 129(46): p. 14176-7.
11. Prestipino, C., L. Regli, J.G. Vitillo, F. Bonino, A. Damin, C. Lamberti, A. Zecchina, P.L. Solari, K.O. Kongshaug, and S. Bordiga, Local Structure of Framework Cu(II) in HKUST-1 Metallorganic Framework: Spectroscopic Characterization upon Activation and Interaction with Adsorbates. Chemistry of Materials, 2006. 18(5): p. 1337-1346.
12. Cavka, J.H., S. Jakobsen, U. Olsbye, N. Guillou, C. Lamberti, S. Bordiga, and K.P. Lillerud, A new zirconium inorganic building brick forming metal organic frameworks with exceptional stability. Journal of the American Chemical Society, 2008. 130(42): p. 13850-1.
13. Low, B.T., Y. Xiao, T.S. Chung, and Y. Liu, Simultaneous Occurrence of Chemical Grafting, Cross-Linking, and Etching on the Surface of Polyimide Membranes and Their Impact on H2/CO2Separation. Macromolecules, 2008. 41(4): p. 1297-1309.
14. Shao, L., C.H. Lau, and T.S. Chung, A novel strategy for surface modification of polyimide membranes by vapor-phase ethylenediamine (EDA) for hydrogen purification. International Journal of Hydrogen Energy, 2009. 34(20): p. 8716-8722.
15. Yang, T.X., Y.C. Xiao, and T.S. Chung, Poly-/metal-benzimidazole nano-composite membranes for hydrogen purification. Energy & Environmental Science, 2011. 4(10): p. 4171-4180.
16. Yang, T.X., G.M. Shi, and T.S. Chung, Symmetric and Asymmetric Zeolitic Imidazolate Frameworks (ZIFs)/Polybenzimidazole (PBI) Nanocomposite Membranes for Hydrogen Purification at High Temperatures. Advanced Energy Materials, 2012. 2(11): p. 1358-1367.
17. Wijenayake, S.N., N.P. Panapitiya, S.H. Versteeg, C.N. Nguyen, S. Goel, K.J. Balkus, I.H. Musselman, and J.P. Ferraris, Surface Cross-Linking of ZIF-8/Polyimide Mixed Matrix Membranes (MMMs) for Gas Separation. Industrial & Engineering Chemistry Research, 2013. 52(21): p. 6991-7001.
18. Li, F.Y., Y. Xiao, Y.K. Ong, and T.-S. Chung, UV-Rearranged PIM-1 Polymeric Membranes for Advanced Hydrogen Purification and Production. Advanced Energy Materials, 2012. 2(12): p. 1456-1466.
19. Bux, H., F. Liang, Y. Li, J. Cravillon, M. Wiebcke, and J. Caro, Zeolitic imidazolate framework membrane with molecular sieving properties by microwave-assisted solvothermal synthesis. Journal of the American Chemical Society, 2009. 131(44): p. 16000-1.
20. Li, Y.S., F.Y. Liang, H. Bux, A. Feldhoff, W.S. Yang, and J. Caro, Molecular sieve membrane: supported metal-organic framework with high hydrogen selectivity. Angewandte Chemie International Edition, 2010. 49(3): p. 548-51.
21. Dong, X.L., K. Huang, S.N. Liu, R.F. Ren, W.Q. Jin, and Y.S. Lin, Synthesis of zeolitic imidazolate framework-78 molecular-sieve membrane: defect formation and elimination. Journal of Materials Chemistry, 2012. 22(36): p. 19222-19227.
22. Huang, A., H. Bux, F. Steinbach, and J. Caro, Molecular-sieve membrane with hydrogen permselectivity: ZIF-22 in LTA topology prepared with 3-aminopropyltriethoxysilane as covalent linker. Angewandte Chemie International Edition, 2010. 49(29): p. 4958-61.
23. Huang, A. and J. Caro, Covalent post-functionalization of zeolitic imidazolate framework ZIF-90 membrane for enhanced hydrogen selectivity. Angewandte Chemie International Edition, 2011. 50(21): p. 4979-82.
24. Poshusta, J.C., V.A. Tuan, J.L. Falconer, and R.D. Noble, Synthesis and permeation properties of SAPO-34 tubular membranes. Industrial & Engineering Chemistry Research, 1998. 37(10): p. 3924-3929.
25. Huang, A.S., F.Y. Liang, F. Steinbach, T.M. Gesing, and J. Caro, Neutral and Cation-Free LTA-Type Aluminophosphate (AlPO4) Molecular Sieve Membrane with High Hydrogen Permselectivity. Journal of the American Chemical Society, 2010. 132(7): p. 2140-+.
26. Li, Z., F.Y. Liao, F. Jiang, B. Liu, S. Ban, G.J. Chen, C.Y. Sun, P. Xiao, and Y.F. Sun, Capture of H2S and SO2 from trace sulfur containing gas mixture by functionalized UiO-66(Zr) materials: A molecular simulation study. Fluid Phase Equilibria, 2016. 427: p. 259-267.
27. Yang, Q.Y., A.D. Wiersum, H. Jobic, V. Guillerm, C. Serre, P.L. Llewellyn, and G. Maurin, Understanding the Thermodynamic and Kinetic Behavior of the CO2/CH4 Gas Mixture within the Porous Zirconium Terephthalate UiO-66(Zr): A Joint Experimental and Modeling Approach. Journal of Physical Chemistry C, 2011. 115(28): p. 13768-13774.
28. Jonsson, H., G. Mills, and K. W. Jacobsen, Nudged elastic band method for finding minimum energy paths of transitions. 1998. p. 385-404.
29. Vandichel, M., J. Hajek, A. Ghysels, A. De Vos, M. Waroquier, and V. Van Speybroeck, Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks. Crystengcomm, 2016. 18(37): p. 7056-7069.
30. Chen, D.L., S.N. Wu, P.Y. Yang, S.H. He, L. Dou, and F.F. Wang, Ab Initio Molecular Dynamic Simulations on Pd Clusters Confined in UiO-66-NH2. Journal of Physical Chemistry C, 2017. 121(16): p. 8857-8863.
31. Sholl, D.S. and R.P. Lively, Seven chemical separations to change the world. Nature, 2016. 532(7600): p. 435-7.
32. Park, H.B., J. Kamcev, L.M. Robeson, M. Elimelech, and B.D. Freeman, Maximizing the right stuff: The trade-off between membrane permeability and selectivity. Science, 2017. 356(6343).
33. Ding, L., Y. Wei, L. Li, T. Zhang, H. Wang, J. Xue, L.X. Ding, S. Wang, J. Caro, and Y. Gogotsi, MXene molecular sieving membranes for highly efficient gas separation. Nature Communications, 2018. 9(1): p. 155.
34. Li, H., Z. Song, X. Zhang, Y. Huang, S. Li, Y. Mao, H.J. Ploehn, Y. Bao, and M. Yu, Ultrathin, molecular-sieving graphene oxide membranes for selective hydrogen separation. Science, 2013. 342(6154): p. 95-8.
35. Wang, L., M.S.H. Boutilier, P.R. Kidambi, D. Jang, N.G. Hadjiconstantinou, and R. Karnik, Fundamental transport mechanisms, fabrication and potential applications of nanoporous atomically thin membranes. Nat Nanotechnol, 2017. 12(6): p. 509-522.
36. Jiang, D.E., V.R. Cooper, and S. Dai, Porous Graphene as the Ultimate Membrane for Gas Separation. Nano Letters, 2009. 9(12): p. 4019-4024.
37. Green, A.A. and M.C. Hersam, Solution phase production of graphene with controlled thickness via density differentiation. Nano Letters, 2009. 9(12): p. 4031-6.
38. Bunch, J.S., S.S. Verbridge, J.S. Alden, A.M. van der Zande, J.M. Parpia, H.G. Craighead, and P.L. McEuen, Impermeable atomic membranes from graphene sheets. Nano Letters, 2008. 8(8): p. 2458-62.
39. Yoshida, H. and L. Bocquet, Labyrinthine water flow across multilayer graphene-based membranes: Molecular dynamics versus continuum predictions. The Journal of Chemical Physics, 2016. 144(23): p. 234701.
40. Jiao, S. and Z. Xu, Selective gas diffusion in graphene oxides membranes: a molecular dynamics simulations study. ACS Appl Mater Interfaces, 2015. 7(17): p. 9052-9.
41. Chen, J.J., W.W. Li, X.L. Li, and H.Q. Yu, Improving biogas separation and methane storage with multilayer graphene nanostructure via layer spacing optimization and lithium doping: a molecular simulation investigation. Environmental Science & Technology, 2012. 46(18): p. 10341-8.
42. Seo, D.H., S. Pineda, Y.C. Woo, M. Xie, A.T. Murdock, E.Y.M. Ang, Y. Jiao, M.J. Park, S.I. Lim, M. Lawn, F.F. Borghi, Z.J. Han, S. Gray, G. Millar, A. Du, H.K. Shon, T.Y. Ng, and K.K. Ostrikov, Anti-fouling graphene-based membranes for effective water desalination. Nature Communications, 2018. 9(1): p. 683.
43. Kang, Z.X., S.S. Wang, L.L. Fan, M.H. Zhang, W.P. Kang, J. Pang, X.X. Du, H.L. Guo, R.M. Wang, and D.F. Sun, In situ generation of intercalated membranes for efficient gas separation. Communications Chemistry, 2018. 1.
44. Hu, Y.X., J. Wei, Y. Liang, H.C. Zhang, X.W. Zhang, W. Shen, and H.T. Wang, Zeolitic Imidazolate Framework/Graphene Oxide Hybrid Nanosheets as Seeds for the Growth of Ultrathin Molecular Sieving Membranes. Angewandte Chemie-International Edition, 2016. 55(6): p. 2048-2052.
45. Wang, X., C. Chi, K. Zhang, Y. Qian, K.M. Gupta, Z. Kang, J. Jiang, and D. Zhao, Reversed thermo-switchable molecular sieving membranes composed of two-dimensional metal-organic nanosheets for gas separation. Nature Communications, 2017. 8: p. 14460.
46. Peng, Y., Y.S. Li, Y.J. Ban, H. Jin, W.M. Jiao, X.L. Liu, and W.S. Yang, Metal-organic framework nanosheets as building blocks for molecular sieving membranes. Science, 2014. 346(6215): p. 1356-1359.
47. Achari, A., S. Sahana, and M. Eswaramoorthy, High performance MoS2 membranes: effects of thermally driven phase transition on CO2 separation efficiency. Energy & Environmental Science, 2016. 9(4): p. 1224-1228.
48. Fan, H., A. Mundstock, A. Feldhoff, A. Knebel, J. Gu, H. Meng, and J. Caro, Covalent Organic Framework-Covalent Organic Framework Bilayer Membranes for Highly Selective Gas Separation. Journal of the American Chemical Society, 2018. 140(32): p. 10094-10098.
49. Fu, J., S. Das, G. Xing, T. Ben, V. Valtchev, and S. Qiu, Fabrication of COF-MOF Composite Membranes and Their Highly Selective Separation of H2/CO2. Journal of the American Chemical Society, 2016. 138(24): p. 7673-80.
50. de Vos, R.M. and H. Verweij, High-selectivity, high-flux silica membranes for gas separation. Science, 1998. 279(5357): p. 1710-1.
51. Zhang, F., X.Q. Zou, X. Gao, S.J. Fan, F.X. Sun, H. Ren, and G.S. Zhu, Hydrogen Selective NH2-MIL-53(Al) MOF Membranes with High Permeability. Advanced Functional Materials, 2012. 22(17): p. 3583-3590.
52. Kang, Z.X., M. Xue, L.L. Fan, L. Huang, L.J. Guo, G.Y. Wei, B.L. Chen, and S.L. Qiu, Highly selective sieving of small gas molecules by using an ultra-microporous metal-organic framework membrane. Energy & Environmental Science, 2014. 7(12): p. 4053-4060.
53. Hoover, Nonequilibrium molecular dynamics. Condensed Matter Physics, 2005. 8(2).
54. Dai, H.W., Z.J. Xu, and X.N. Yang, Water Permeation and Ion Rejection in Layer-by-Layer Stacked Graphene Oxide Nanochannels: A Molecular Dynamics Simulation. Journal of Physical Chemistry C, 2016. 120(39): p. 22585-22596.
55. Payne, M.C., M.P. Teter, D.C. Allan, T.A. Arias, and J.D. Joannopoulos, Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients. Reviews of Modern Physics, 1992. 64(4): p. 1045-1097.
56. Yang, J., Y. Ren, A.-m. Tian, and H. Sun, COMPASS Force Field for 14 Inorganic Molecules, He, Ne, Ar, Kr, Xe, H2, O2, N2, NO, CO, CO2, NO2, CS2, and SO2, in Liquid Phases. The Journal of Physical Chemistry B, 2000. 104(20): p. 4951-4957.
57. BIOVIA, D. S., Materials Studio. San Diego: Dassault Systèmes 2018.
58. BIOVIA, D. S., CASTEP. San Diego: Dassault Systèmes 2018.
59. BIOVIA, D. S., Sorption. San Diego: Dassault Systèmes 2018.
60. BIOVIA, D. S., Forcite. San Diego: Dassault Systèmes 2018.
61. Trickett, C.A., K.J. Gagnon, S. Lee, F. Gandara, H.B. Burgi, and O.M. Yaghi, Definitive molecular level characterization of defects in UiO-66 crystals. Angew Chem Int Ed Engl, 2015. 54(38): p. 11162-7.
62. Butova, V.V., A.P. Budnyk, A.A. Guda, K.A. Lomachenko, A.L. Bugaev, A.V. Soldatov, S.M. Chavan, S. Øien-Ødegaard, U. Olsbye, K.P. Lillerud, C. Atzori, S. Bordiga, and C. Lamberti, Modulator Effect in UiO-66-NDC (1,4-Naphthalenedicarboxylic Acid) Synthesis and Comparison with UiO-67-NDC Isoreticular Metal–Organic Frameworks. Crystal Growth & Design, 2017. 17(10): p. 5422-5431.
63. Farmahini, A.H., A. Shahtalebi, H. Jobic, and S.K. Bhatia, Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon. The Journal of Physical Chemistry C, 2014. 118(22): p. 11784-11798.
64. Verploegh, R.J., S. Nair, and D.S. Sholl, Temperature and Loading-Dependent Diffusion of Light Hydrocarbons in ZIF-8 as Predicted Through Fully Flexible Molecular Simulations. Journal of the American Chemical Society, 2015. 137(50): p. 15760-71.
65. Clark, S.J., M.D. Segall, C.J. Pickard, P.J. Hasnip, M.J. Probert, K. Refson, and M.C. Payne, First principles methods using CASTEP. Zeitschrift Fuer Kristallographie, 2005. 220(5-6): p. 567-570.
66. Perdew, J.P., K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]. Physical Review Letters, 1997. 78(7): p. 1396-1396.
67. Sun, H., COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds. The Journal of Physical Chemistry B, 1998. 102(38): p. 7338-7364.
68. Chen, L., F. Cao, and H. Sun, Ab initio study of the π-π interactions between CO2 and benzene, pyridine, and pyrrole. International Journal of Quantum Chemistry, 2013. 113(20): p. 2261-2266.
69. Golzar, K., H. Modarress, and S. Amjad-Iranagh, Effect of pristine and functionalized single- and multi-walled carbon nanotubes on CO2 separation of mixed matrix membranes based on polymers of intrinsic microporosity (PIM-1): a molecular dynamics simulation study. Journal of Molecular Modeling, 2017. 23(9): p. 266.
70. Lock, S.S.M., K.K. Lau, A.M. Shariff, Y.F. Yeong, and M.A. Bustam, Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation. Journal of Polymer Science Part B-Polymer Physics, 2018. 56(2): p. 131-158.
71. Xu, H., W. Chu, X. Huang, W. Sun, C. Jiang, and Z. Liu, CO2 adsorption-assisted CH4 desorption on carbon models of coal surface: A DFT study. Applied Surface Science, 2016. 375: p. 196-206.
72. Ozcan, A., C. Perego, M. Salvalaglio, M. Parrinello, and O. Yazaydin, Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation. Chemical Science, 2017. 8(5): p. 3858-3865. |