The effects of structural parameters of zeolite on the adsorption of hydrogen: a molecular simulation study

References

• Cao , D. and Wang , W. 2007 . Storage of hydrogen in single-walled carbon nanotube bundles with optimized parameters: Effect of external surfaces . Int. J. Hydrogen Energy , 32 : 1939 – 1942 .
   Web of Science ®Google Scholar
• Chen , Y.L. , Liu , B. , Wu , J. , Huang , Y. , Jiang , H. and Hwang , K.C. 2008 . Mechanics of hydrogen storage in carbon nanotubes . J. Mech. Phys. Solids , 56 : 3224 – 3241 .
   Web of Science ®Google Scholar
• Jung , D.H. , Kim , D. , Lee , T.B. , Choi , S.B. , Yoon , J.H. , Kim , J. , Choi , K. and Choi , S.H. 2006 . Grand canonical Monte Carlo simulation study on the catenation effect on hydrogen adsorption onto the interpenetrating metal–organic frameworks . J. Phys. Chem. B , 110 : 22987 – 22990 .
   PubMed Web of Science ®Google Scholar
• Kowalczyk , P. , Tanaka , H. , Hołyst , R. , Kaneko , K. , Ohmori , T. and Miyamoto , J. 2005 . Storage of hydrogen at 303 K in graphite slitlike pores from grand canonical Monte Carlo simulation . J. Phys. Chem. B , 109 : 17174 – 17183 .
   PubMed Web of Science ®Google Scholar
• Sankaran , M. , Viswanathan , B. and Murthy , S.S. 2008 . Boron substituted carbon nanotubes – how appropriate are they for hydrogen storage? . Int. J. Hydrogen Energy , 33 : 393 – 403 .
   Web of Science ®Google Scholar
• Rahmati , M. and Modarress , H. 2009 . Grand canonical Monte Carlo simulation of isotherm for hydrogen adsorption on nanoporous siliceous zeolites at room temperature . Appl. Surf. Sci. , 255 : 4773 – 4778 .
   Web of Science ®Google Scholar
• Li , Y. and Yang , R.T. 2006 . Hydrogen storage in low silica type X zeolites . J. Phys. Chem. B , 110 : 17175 – 17181 .
   PubMed Web of Science ®Google Scholar
• Bae , D. , Park , H. , Kim , J.S. , Lee , J. , Kwon , O.Y. , Kim , K.Y. , Song , M.K. and No , K.T. 2008 . Hydrogen adsorption in organic ion-exchanged zeolites . J. Phys. Chem. Solids , 69 : 1152 – 1154 .
   Web of Science ®Google Scholar
• Kang , L. , Deng , W. , Han , K. , Zhang , T. and Liu , Z. 2008 . A DFT study of adsorption hydrogen on the Li–FAUzeolite . Int. J. Hydrogen Energy , 33 : 105 – 110 .
   Web of Science ®Google Scholar
• Palomino , G.T. , Carayol , M.R.L. and Arean , C.O. 2008 . Thermodynamics of hydrogen adsorption on the zeolite Ca–Y . Catal. Today , 138 : 249 – 252 .
   Web of Science ®Google Scholar
• Prasanth , K.P. , Pillai , R.S. , Bajaj , H.C. , Jasra , R.V. , Chung , H.D. , Kim , T.H. and Song , S.D. 2008 . Adsorption of hydrogen in nickel and rhodium exchanged zeolite X . Int. J. Hydrogen Energy , 33 : 735 – 745 .
   Web of Science ®Google Scholar
• Berg , A.W.C.V.D. , Bromley , S.T. and Jansen , J.C. 2005 . Thermodynamic limits on hydrogen storage in sodalite framework materials: A molecular mechanics investigation . Micropor. Mesopor. Mater. , 78 : 63 – 71 .
   Web of Science ®Google Scholar
• Yu , M. , Li , S. , Falconer , J.L. and Noble , R.D. 2008 . Reversible H2 storage using a SAPO-34 zeolite layer . Micropor. Mesopor. Mater. , 110 : 579 – 582 .
   Web of Science ®Google Scholar
• Jhung , S.H. , Yoon , J.W. , Lee , J.S. and Chang , J.S. 2007 . Low-temperature adsorption/storage of hydrogen on FAU, MFI, and MOR zeolites with various Si/Al ratios: Effect of electrostatic fields and pore structures . Chem. Eur. J. , 13 : 6502 – 6507 .
   Web of Science ®Google Scholar
• Rzepka , M. , Lamp , P. and delaCasa-Lillo , M.A. 1998 . Physisorption of hydrogen on microporous carbon and carbon nanotubes . J. Phys. Chem. B , 102 : 10894 – 10898 .
   Web of Science ®Google Scholar
• Zhang , X. , Cao , D. and Chen , J. 2003 . Hydrogen adsorption storage on single-walled carbon nanotube arrays by a combination of classical potential and density functional theory . J. Phys. Chem. B , 107 : 4942 – 4950 .
   Web of Science ®Google Scholar
• Xu , Q. , Liu , D. , Yang , Q. and Zhong , C. 2009 . Molecular simulation study of the quantum effects of hydrogen adsorption in metal–organic frameworks: Influences of pore size and temperature . Mol. Simul. , 35 : 748 – 754 .
   Web of Science ®Google Scholar
• Suraweera , N.S. , Xiong , R. , Luna , J.P. , Nicholson , D.M. and Keffer , D.J. 2011 . On the relationship between the structure of metal–organic frameworks and the adsorption and diffusion of hydrogen . Mol. Simul. , 37 : 621 – 639 .
   Web of Science ®Google Scholar
• Harada , A. , Shimojo , F. and Hoshino , K. 2004 . Molecular-dynamics studies on hydrogen atoms in nanostructured graphite . Mol. Simul. , 30 : 947 – 951 .
   Web of Science ®Google Scholar
• Jee , S.E. , McGaughey , A.J.H. and Sholl , D.S. 2009 . Molecular simulations of hydrogen and methane permeation through pore mouth modified zeolite membranes . Mol. Simul. , 35 : 70 – 78 .
   Web of Science ®Google Scholar
• Rahmati , M. and Modarress , H. 2009 . Nitrogen adsorption on nanoporous zeolites studied by grand canonical Monte Carlo simulation . J. Mol. Struct. (Theochem) , 901 : 110 – 116 .
   Web of Science ®Google Scholar
• Strobel , R. , Garche , J. , Moseley , P.T. , Jorissen , L. and Wolf , G. 2006 . Hydrogen storage by carbon materials . J. Power Sources , 159 : 781 – 801 .
   Web of Science ®Google Scholar
• Xu , W.C. , Takahashi , K. , Matsuo , Y. , Hattori , Y. , Kumagai , M. , Ishiyama , S. , Kaneko , K. and Iijima , S. 2007 . Investigation of hydrogen storage capacity of various carbon materials . Int. J. Hydrogen Energy , 32 : 2504 – 2512 .
   Web of Science ®Google Scholar
• Song , M.K. and No , K.T. 2007 . Molecular simulation of hydrogen adsorption in organic zeolite . Catal. Today , 120 : 374 – 382 .
   Web of Science ®Google Scholar
• Kumar , A.V.A. , Jobic , H. and Bhatia , S.K. 2006 . Quantum effects on adsorption and diffusion of hydrogen and deuterium in microporous materials . J. Phys. Chem. B , 110 : 16666 – 16671 .
   PubMed Web of Science ®Google Scholar
• Arean , C.O. , Manoilova , O.V. , Bonelli , B. , Delgado , M.R. , Palomino , G.T. and Garrone , E. 2003 . Thermodynamics of hydrogen adsorption on the zeolite Li-ZSM-5 . Chem. Phys. Lett. , 370 : 631 – 635 .
   Web of Science ®Google Scholar
• Dong , J. , Wang , X. , Xu , H. , Zhao , Q. and Li , J. 2007 . Hydrogen storage in several microporous zeolites . Int. J. Hydrogen Energy , 32 : 4998 – 5004 .
   Web of Science ®Google Scholar
• Zhou , L. and Zhou , Y. 2001 . Determination of compressibility factor and fugacity coefficient of hydrogen in studies of adsorptive storage . Int. J. Hydrogen Energy , 26 : 597 – 601 .
   Web of Science ®Google Scholar
• Arletti , R. , Vezzalini , G. , Morsli , A. , Renzo , F.D. , Dmitriev , V. and Quartieri , S. 2011 . Elastic behavior of MFI-type zeolites: 1-compressibility of Na-ZSM-5 in penetrating and non-penetrating media . Micropor. Mesopor. Mater. , 142 : 696 – 707 .
   Web of Science ®Google Scholar
• Foster , M.D. , Rivin , I. , Treacy , M.M.J. and Friedrichs , O.D. 2006 . A geometric solution to the largest-free-sphere problem in zeolite frameworks . Micropor. Mesopor. Mater. , 90 : 32 – 38 .
   Web of Science ®Google Scholar
• Hall , M.R. , Tsang , S.C.E. , Casey , S.P. , Khan , M.A. and Yang , H. 2012 . Synthesis, characterization and hygrothermal behaviour of mesoporous silica high-performance desiccants for relativehumidity buffering in closed environments . Acta Mater. , 60 : 89 – 101 .
   Web of Science ®Google Scholar
• Doyle , A.M. and Hodnett , B.K. 2006 . Adjusting the porous and structural properties of mesoporous silica by the addition of organic modifiers . J. Non-Cryst. Solids , 352 : 2193 – 2197 .
   Web of Science ®Google Scholar
• Hu , Q. , Dou , B.J. , Tian , H. , Li , J.J. , Li , P. and Hao , Z.P. 2010 . Mesoporous silicalite-1 nanospheres and their properties of adsorption and hydrophobicity . Micropor. Mesopor. Mater. , 129 : 30 – 36 .
   Web of Science ®Google Scholar
• Dunne , L.J. , Furgani , A. , Jalili , S. and Manos , G. 2009 . Monte-Carlo simulations of methane/carbon dioxide and ethane/carbon dioxide mixture adsorption in zeolites and comparison with matrix treatment of statistical mechanical lattice model . Chem. Phys. , 359 : 27 – 30 .
   Web of Science ®Google Scholar
• Liu , B. , Smit , B. and Calero , S. 2006 . Evaluation of a new force field for describing the adsorption behavior of alkanes in various pure silica zeolites . J. Phys. Chem. B , 110 : 20166 – 20171 .
   Web of Science ®Google Scholar
• Bhatia , S.K. and Myers , A.L. 2006 . Optimum conditions for adsorptive storage . Langmuir , 22 : 1688 – 1700 .
   PubMed Web of Science ®Google Scholar