Diffusion of CH4 and H2 in ZIF-8
作者： Loreen Hertäg , Helge Bux , Jürgen Caro , Christian Chmelik , Tawun Remsungnen
DOI: 10.1016/J.MEMSCI.2011.01.019
关键词:
摘要: … Combining our diffusion selectivity D S (H 2 )/D S (CH 4 ) of about 160 in equimolar mixture simulations at 1 molecule/uc with the adsorption selectivity (adsorped amounts H 2 /CH 4 ) of …
elsevier.com
sci-hub.se 参考文章(29)
Jorg Kärger, Douglas M. Ruthven, Diffusion in Zeolites and Other Microporous Solids ,(1992)
C. F. Curtiss, J. O. Hirschfelder, R. B. Bird, Molecular theory of gases and liquids ,(1954)
Seda Keskin, Jinchen Liu, J. Karl Johnson, David S. Sholl, Atomically detailed models of gas mixture diffusion through CuBTC membranes Microporous and Mesoporous Materials. ,vol. 125, pp. 101- 106 ,(2009) , 10.1016/J.MICROMESO.2009.01.016
Stephen C. Hoops, Kenneth W. Anderson, Kenneth M. Merz, Force Field Design for Metalloproteins Journal of the American Chemical Society. ,vol. 113, pp. 8262- 8270 ,(1991) , 10.1021/JA00022A010
A. G. Donchev, N. G. Galkin, V. I. Tarasov, Anisotropic nonadditive ab initio force field for noncovalent interactions of H2 The Journal of Chemical Physics. ,vol. 126, pp. 174307- 174307 ,(2007) , 10.1063/1.2723102
Helge Bux, Fangyi Liang, Yanshuo Li, Janosch Cravillon, Michael Wiebcke, Jürgen Caro, Zeolitic Imidazolate Framework Membrane with Molecular Sieving Properties by Microwave-Assisted Solvothermal Synthesis Journal of the American Chemical Society. ,vol. 131, pp. 16000- 16001 ,(2009) , 10.1021/JA907359T
Hai-chao Guo, Fan Shi, Zheng-fei Ma, Xiao-qin Liu, Molecular Simulation for Adsorption and Separation of CH4/H2 in Zeolitic Imidazolate Frameworks Journal of Physical Chemistry C. ,vol. 114, pp. 12158- 12165 ,(2010) , 10.1021/JP908978Q
Evangelia Pantatosaki, Federico G. Pazzona, Gregory Megariotis, George K. Papadopoulos, Atomistic simulation studies on the dynamics and thermodynamics of nonpolar molecules within the zeolite imidazolate framework-8. Journal of Physical Chemistry B. ,vol. 114, pp. 2493- 2503 ,(2010) , 10.1021/JP911477A
Anh Phan, Christian J. Doonan, Fernando J. Uribe-Romo, Carolyn B. Knobler, Michael O’Keeffe, Omar M. Yaghi, Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks Accounts of Chemical Research. ,vol. 43, pp. 58- 67 ,(2010) , 10.1021/AR900116G
A. K. Rappe, C. J. Casewit, K. S. Colwell, W. A. Goddard, W. M. Skiff, UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations Journal of the American Chemical Society. ,vol. 114, pp. 10024- 10035 ,(1992) , 10.1021/JA00051A040