102
Views
26
CrossRef citations to date
0
Altmetric
Original Articles

The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite: A Grand Canonical Monte-Carlo study

, , , &
Pages 255-288 | Received 01 Jan 1996, Accepted 01 Feb 1996, Published online: 23 Sep 2006

References

  • Gregg , S. J. and Sing , K. S. W. 1967 . “Adsorption and Porosity” , Academic Press .
  • Evans , R. and Tarazona , P. 1984 . “Theory of condensation in narrow capillaries” . Phys. Lett. Rev. , 52 : 847
  • Kierlick , E. and Rosinberg , M. L. 1990 . “Free-energy density functional for the inhomogeneous hard sphere fluid, application to interfacial adsorption” . Phys. Rev. A , 42 : 3382
  • Ruthowsky , J. , Zukal , A. , Franke , O. and Shulz-Ekloff , G. 1994 . “Adsorption on MCM-41 mesoporous molecular sieves” . J. Chem Soc. Faraday Trans. , 90 : 2821
  • Balbuena , P. B. and Gubbins , K. E. 1994 . “The effect of the pore geometry on adsorption behaviour” “Characterization of Porous Solids III” . In Studies in Surface Science and Catalysis , Edited by: Rouquerol , J. , Rodriguez-Reinoso , F. , Sing , K. S. W. and Unger , K. K. Vol. 87 , 41 Elsevier .
  • Mitchell , M. C. , Mc Cormick , A. V. and Davis , H. T. 1995 . “Prediction of adsorption of xenon in zeolite NaA with molecular density functional theory” . Z. Phys. B , 97 : 353
  • Nicholson , D. and Parsonage , N. G. 1982 . “Computer Simulation and the Statistical Mechanics of Adsorption” , New York : Academic Press .
  • van Koningsveld , H. , Trunistra , F. , van Bekkum , H. and Jansen , J. C. 1989 . “The location of p-xylene in a single crystal of zeolite H-ZSM-5 with a new sorbate-induced orthorhombic framework symmetry” . Acta Crystal. , B45 : 423
  • Maglara , E. , Pullen , A. , Sullivan , D. and Conner , W. C. 1994 . “Characterization of microporous solids by adsorption: measurement of high resolution adsorption isotherms” . Langmuir , 10 : 4167
  • Reichert , H. , Muller , U. , Unger , K. K. , Grillet , Y. , Rouquerol , F. , Rouquerol , J. and Coulomb , J. P. 1991 . “Sorption of argon and nitrogen on network types of zeolites and aluminophosphates” . In Characterization of Porous Solids II, Studies in Surface Science and Catalysis , Edited by: Reinoso , F. Vol. 62 , 535 Elsevier .
  • Muller , U. , Reichert , H. , Robens , E. , Unger , K. K. , Grillet , Y. , Rouquerol , F. , Rouquerol , J. , Dongfeng Pan , A. and Mersmann , A. 1989 . “High resolution sorption studies of argon and nitrogen on large crystal of microporous zeolite ZMS-5” . Fresenius Z. Anal. Chem. , 333 : 433
  • Sing , K. S. W. and Unger , K. K. 1993 . “Nitrogen adsorption by silicalite and ZSM-5” . Chem. and Ind. , : 165
  • Hathaway , P. E. and Davis , M. E. 1990 . “High resolution quasi-equilibrium sorption studies of molecular sieves” . Catalysis Letters , 5 : 333
  • Webb , S. W. and Conner , W. C. 1991 . “Sorption of gases on microporous solids: pore size characterization by gas adsorption” . In Characterization of Porous Solids II, Studies in Surface Science and Catalysis , Edited by: Reinoso , F. Vol. 62 , 535 Elsevier .
  • Borghard , W. S. , Reichman , P. T. and Sheppard , E. W. 1993 . “Argon sorption in ZSM-5” . J. of Catalysis , 139 : 19
  • Saito , A. and Foley , H. C. 1995 . “High resolution nitrogen and argon adsorption on ZSM-5 zeolites: effects of cation exchange and Si/Al ratio” . Microp. Mat. , 3 : 543
  • Llewellyn , P. L. , Coulomb , J. P. , Grillet , Y. , Patarin , J. , Lauter , H. , Reichert , H. and Rouquerol , J. 1993 . “Adsorption by MFI-type zeolites examined by isothermal microcalorimetry and neutron diffraction, part 1; argon, krypton and methane” . Langmuir , 19 : 1846
  • Coulomb , J. P. and Tosi-Pellenq , N. 1993 . private communication.
  • Llewellyn , P. L. , Coulomb , J. P. , Grillet , Y. , Patarin , J. , Andre , G. and Rouquerol , J. “Adsorption by MFI-type zeolites examine by isothermal microcalorimetry and neutron diffraction, part 2: nitrogen and carbon monoxide” . Langmuir , 19 1852
  • Conner , W. C. , Ferrero , M. , Bonardet , J. and Fraissard , J. 1993 . “First low-temperature 15N NMR study of nitrogen physisorption and condensation in microporous solids” . J. Chem. Soc. Faraday Trans. , 89 : 833
  • Bonardet , J. , Fraissard , J. , Unger , K. K. , Kumar , D. , Ferrero , F. , Ragle , J. and Conner , W. C. 1994 . “The use of 15N NMR for the understanding of nitrogen physisorption” , Edited by: Rouquerol , J. , Reinoso-Reinoso , F. , Sing , K. S. W. and Unger , K. K. Vol. 87 , 41 Elsevier . Studies in Surface Science and Catalysis (1994)
  • Buckingham , A. D. 1967 . “Permanent and induced molecular moments and long range intermolecular forces” . Adv. Chem. Phys. , 12 : 107
  • White , J. C. and Hess , A. C. 1993 . “Periodic Hartree-Fock study of siliceous mordenite” . J. Phys. Chem. , 97 : 6398
  • Price , S. L. 1986 . “The limitation of isotropic site-site potential to describe N2–-N2 intermolecular surface” . Mol. Phys. , 58 : 651
  • Berns , R. M. and van der Avoird , A. 1980 . “N2–-N2 interaction potential from ab initio calculation with application to the structure of (N2)2“ . J. Chem. Phys. , 72 : 6107
  • Kuchta , B. and Etters , R. D. 1987 . “Calculated properties of monolayer and multilayers N2 on graphite” . Phys. Rev. B. , 36 : 3400
  • Tildesley , D. and Allen , M. P. 1987 . “Computer Simulation of Liquids” , Clarendon Press .
  • Maitland , G. C. , Rigby , M. , Smith , E. B. and Wakeham , N. A. 1981 . “Intermolecular Forces” , Clarendon Press. .
  • Pellenq , R. J-M. and Nicholson , D. 1994 . “Intermolecular potential function for the physical adsorption of rare gases in silicalite” . J. Phys. Chem. , 98 : 13339
  • Nicholson , D. , Boutin , A. and Pellenq , R. J-M. “Intermolecular potential functions for adsorption in zeolites: state of the art and effective models” . Mol. Sim. , this issue.
  • Claverie , P. 1978 . “Intermolecular interactions, from diatomics to biopolymers” , Edited by: Pullman , B. Wiley .
  • Stone , A. J. and Tong , C. S. 1995 . “Anisotropic repulsion” . J. Comp. Chem. , 15 : 1377
  • Böhm , H. J. and Ahlrichs , R. 1982 . “A study of short range repulsions” . J. Chem. Phys. , 77 : 2028
  • Tang , K. T. and Toennies , J. P. 1984 . “An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients” . J. Chem. Phys. , 80 : 3726
  • Pellenq , R. J-M. and Nicholson , D. 1995 . “Grand ensemble Monte-Carlo simulation of simple molecules adsorbed in silicalite-1” . Langmuir , 11 : 1626
  • Rees , L. V. C. , Bruckner , P. and Hampson , J. 1991 . “Sorption of N2, CH4 and CO2 in silicalite-1” . Gas Sep. and Purif. , 5 : 67
  • Boutin , A. , Pellenq , R. J -M. and Nicholson , D. 1994 . “Molecular simulation of the stepped adsorption isotherm of methane in AlPO4 – 5” . Chem. Phys. Letters , 219 : 484
  • Lachet , V. , Boutin , A. , Pellenq , R. J.-M. , Nicholson , D. and Fuchs , A. H. 1996 . “Molecular simulation of the structural rearrangement of methane adsorbed in aluminophosphate AlPO4–-5” . J. Phys. Chem. , in press.
  • Pellenq , R. J- M. , Tavitian , B. , Espinat , D. and Fuchs , A. H. 1996 . “Grand Monte-Carlo simulations of adsorption of polar and non-polar molecules in NaY zeolite” . In Langmuir , Edited by: Pellenq , R. J- M. and Fuchs , A. H. Institut Français du Pétrole . internal report, (1995)in press
  • Fernandez-Alonso , F. , Pellenq , R. J-M. and Nicholson , D. 1995 . “The role of three-body interaction in the adsorption of argon in silicalite-1” . Mol. Phys , 86 : 1021
  • Alejandre , J. , Tildesley , D. J. and Chapela , G. A. “Molecular dynamics simulation of the orthobaric densities and surface tension of water (1995)” . J. Chem. Phys. , 102 4574 and references therein.
  • Jedlovszky , P. and Palinkas , G. 1994 . “Monte-Carlo simulation of liquid acetone with a polarizable molecular model” . Mol. Phys. , 84 : 217
  • Freeman , N. 1994 . PhD thesis University of London. Imperial College. .
  • Metropolis , N. , Rosenbluth , A. W. , Rosenbluth , M. N. , Teller , A. H. and Teller , E. 1953 . “Equation of state calculations on fast computing machines” . J. Chem. Phys. , 21 : 1087
  • Tosi-Pellenq , N. J. M. 1994 . PhD thesis Marseille : Université de Provence .
  • Watanabe , K. , Austin , N and Stapleton , M. R. 1995 . “Investigation of the air separation properties of zeolites types A, X, and Y by Monte Carlo simulations” . Mol. Sim. , 15 : 197
  • Fyfe , C. A. , Kennedy , G. J. , De Schutter , C. T. and Kokotailo , G. T. 1984 . “Sorbate-induced structural changes in ZSM-5 (silicalite)” . J. Chem. Soc. Chem. Commun. , : 541
  • Pan , Dongfeng and Mersmann , A. B. 1991 . “Methods for incorporating adsorbent activity into zeolitic adsorption isotherms” . Gas Sep. Purif. , 5 : 210 (1991)
  • Pan , Dongfeng and Mersmann , A. B. 1991 . “How can an adsorption system show phase transition” . In Characterization of Porous Solids II , Edited by: Reinoso , F. Vol. 62 , Elsevier . Studies in Surface Science and Catalysis
  • Muller , A. J. and Conner , W. C. 1993 . “Cyclohexane in ZSM-5. FTIR and X-ray studies” . J. Phys. Chem. , 97 : 1451
  • Janchen , J. , Peeters , M. P. J. , De Haan , J. W. , van de ven , L. J. M. , Van Hoof , J. H. C. , Girmus , I. and Lohse , U. 1993 . “Adsorption, calorimetric measurements and 27Al DOR NMR studies on the molecular sieves AlPO4-18” . J. Phys. Chem. , 97 : 12042
  • Golden , T. C. and Sircar , S. 1994 . “Gas adsorption on silicalite” . J. Coll. Int. Sci. , 162 : 182
  • Baur , W. 1992 . “Self-limiting distortion by antirotating hinges is the principle of flexible noncollapsible frameworks” . J. Solid State Chem. , 97 : 243
  • Coulomb , J. P. 1993 . private communication
  • Parsonage , N. G. and Staveley , L. A. K. 1978 . “Disorder in crystals” . In Monographs on Chemistry , Edited by: Rowlinson , J. S. and Baldwin , J. E. Clarendon Press . (1978)
  • Demontis , P. , Suffritti , G. B. , Quartieri , S. , Gamba , A. and Fois , E. S. 1991 . “Molecular dynamics studies on zeolites, discussion of the structural changes of silicalite” . J. Chem. Soc. Faraday Trans. , 87 : 1657
  • Yamazaki , T. , Watanuki , I. , Ozawa , S. and Ogino , Y. 1988 . “Infrared spectra of methane adsorbed by ion exchanged ZSM-5 zeolites” . Langmuir , 4 : 433
  • Tosi-Pellenq , N. J. M. , Llewellyn , P. , Grillet , Y. and Rouquerol , J. 1992 . “Microcalorimetric study of the adsorption of various gases into microporous adsorbents: a model aluminophosphate and a natural clay” . Therm. Acta , 204 : 79

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.