Model for molecular interactions in helicoidal cavities

Molecular Simulation

Volumn 17, Issue 4-6, 1996, Pages 289-301

  Girardet, C ^a   Hoang, P N M ^a   Breton, J ^b  

^a UNIVERSITÉ DE FRANCHE COMTÉ   (France)

^b UNIVERSIDAD DE LA LAGUNA   (Spain)

Author keywords

AlPO4 5; Fourier transforms; Helicoidal cavities

Indexed keywords

EID: 0346495572     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029608024113     Document Type: Article

References (22)

1. Smith, J. V. (1988) "Topochemistry of Zeolites and Related Materials. 1. Topology and Geometry" Chem. Rev., 88, 149.
2. Furuyama, S., Miyazaki, M. and Inoue, H., (1984) "Sorption of Argon, Oxygen, Nitrogen, Nitric Oxide, and Carbon Monoxide by Hydrogen Mordenite, Hydrogen ZSM-5 Synthetic Zeolite, and Sodium Hydrogen Mordenites" J. Phys. Chem., 88, 1741. Feller, U. M., Reichert, H., Kokotailo, G. T., Unger, K. K., Grillet, Y., Rouquerol, F. and Rouquerol, J. "High Resolution Nitrogen and Argon Sorption Studies: Properties of Microporous MFI-Type Network Zeolites Compared to AFI- and AEL-Type Aluminophosphate Molecular Sieves." Proceeding IIIrd Int. Conf. on Fundamentals of Adsorption (1991) 595.
3. Furuyama, S., Miyazaki, M. and Inoue, H., (1984) "Sorption of Argon, Oxygen, Nitrogen, Nitric Oxide, and Carbon Monoxide by Hydrogen Mordenite, Hydrogen ZSM-5 Synthetic Zeolite, and Sodium Hydrogen Mordenites" J. Phys. Chem., 88, 1741. Feller, U. M., Reichert, H., Kokotailo, G. T., Unger, K. K., Grillet, Y., Rouquerol, F. and Rouquerol, J. "High Resolution Nitrogen and Argon Sorption Studies: Properties of Microporous MFI-Type Network Zeolites Compared to AFI- and AEL-Type Aluminophosphate Molecular Sieves." Proceeding IIIrd Int. Conf. on Fundamentals of Adsorption (1991) 595.
4. Reichert, H., Muller, U., Unger, K. K., Grillet, Y., Roquerol, 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, Rodriguez-Reinoso Ed. (Elsevier, Amsterdam), 535.
5. Llewellyn, P. L., Coulomb, J. P., Grillet, Patarin, J., Lauter, H., Reichert H. and Rouquerol, J. (1993) "Adsorption by MFI-Type Zeolites Examined by Isothermal Microcalorimetry and Neutron Diffraction. 1. Argon, Krypton, and Methane" Llewellyn, P. L., Coulomb, J. P., Grillet, Y., Patarin, J., Lauter, H., Reichert, H. and Rouquerol, J. "Adsorption by MFI-Type Zeolites Examined by Isothermal Microcalorimetry and Neutron Diffraction. 1. Nitrogen and Carbon Monoxide", Langmuir, 9, 1852.
6. Tosi-Pellenc, N., Grillet, Y., Rouquerol, J. and Llewellyn, P. (1992) "A Microcalorimetric comparison of the adsorption of various gases on two microporous adsorbents: a model of aluminophosphate and a natural clay" Thermochim. Acta., 204, 79.
7. 2." Mol. Phys., 66, 479; Jameson, C. J., Jameson, A. K., Gerald, R., II and De Dios, A. C. (1992) "Nuclear magnetic resonance studies of xenon clusters in zeolite NaA" J. Chem. Phys., 96, 1676.
8. 2." Mol. Phys., 66, 479; Jameson, C. J., Jameson, A. K., Gerald, R., II and De Dios, A. C. (1992) "Nuclear magnetic resonance studies of xenon clusters in zeolite NaA" J. Chem. Phys., 96, 1676.
9. Furuki, M., Kubota, J., Goto, Y., Wakabayashi, F., Kondo, J. Wada, A. Domen, K. and Hirose, C. (1993) "Vibrational lifetime of surface species of zeolites by picosecond IR pulses" J. Elect. Spect. and Rel. Phenom., 64/65, 259.
10. 2 in zeolite" Phys. Rev., B 50, 12291.
11. Panagiotopoulos, A. Z. (1987) "Adsorption and capillarity condensation of fluids in cylindrical pores by Monte Carlo simulation in the Gibbs ensemble" Mol. Phys., 62, 701.
12. Soto J. L. and Myers, A. L. (1981) "Monte Carlo Studies of Adsorption in Molecular Sieves" Mol. Phys., 42, 971; Woods, G. B. Panagiotopoulos A. E. and Rowlinson, J. S. (1988) "Adsorption of Fluids in Model Zeolite Cavities" Mol. Phys., 63, 49; Smit B. and Den Ouden, C. J. J. (1988) "Monte Carlo Simulations on the Relation between the Structure and Properties of Zeolites: The Adsorption of Small Hydrocarbons" J. Phys. Chem., 92, 7169.
13. Soto J. L. and Myers, A. L. (1981) "Monte Carlo Studies of Adsorption in Molecular Sieves" Mol. Phys., 42, 971; Woods, G. B. Panagiotopoulos A. E. and Rowlinson, J. S. (1988) "Adsorption of Fluids in Model Zeolite Cavities" Mol. Phys., 63, 49; Smit B. and Den Ouden, C. J. J. (1988) "Monte Carlo Simulations on the Relation between the Structure and Properties of Zeolites: The Adsorption of Small Hydrocarbons" J. Phys. Chem., 92, 7169.
14. Soto J. L. and Myers, A. L. (1981) "Monte Carlo Studies of Adsorption in Molecular Sieves" Mol. Phys., 42, 971; Woods, G. B. Panagiotopoulos A. E. and Rowlinson, J. S. (1988) "Adsorption of Fluids in Model Zeolite Cavities" Mol. Phys., 63, 49; Smit B. and Den Ouden, C. J. J. (1988) "Monte Carlo Simulations on the Relation between the Structure and Properties of Zeolites: The Adsorption of Small Hydrocarbons" J. Phys. Chem., 92, 7169.
15. Cracknell R. F. and Gubbins, K. E. (1993) "Molecular Simulation of the Adsorption and Diffusion in VPI-5 and Other Aluminophosphates" Langmuir, 9, 824.
16. Razmus, D. M. and Hall, C. K. (1991) "Prediction of Gas Adsorption in 5A Zeolites Using Monte Carlo Simulation" AIche Journal, 37, 769.
17. Boutin, A., Pellenq, R. J. M. and Nicholson, D. (1994) "Molecular simulation of the stepped adsorption isotherm of methane in AlP04-5", Chem. Phys. Lett., 219, 484.
18. Nivarthi, S. S., Van Tassel, P. R. Davis, H. T. and Mc Cormick, A. V. (1995) "Adsorption and energetics of Xenon in mordenite: A Monte Carlo simulation study" J. Chem. Phys., 103, 3029.
19. Baksh, M. S. A. and Yang, R. T. (1991) "Model for Spherical Cavity Radii and Potential Functions of Sorbates in Zeolites", AIche Journal, 37, 923.
20. Alvira, E., Breton, J., Delgado, V. and Girardet, C. (1992) "Interaction Between an Atom and a Mesoscopic Helicoidal System -Fourier Transform Analysis" J. Chem. Phys., 97, 6821.
21. Gonzales-Platas, J. Breton, J. and Girardet, C. (1993) "Atom Confinement in Helicoidal Cavities" J. Chem. Phys., 98, 3389.
22. Gonzales-Platas, J. Breton, J. and Girardet, C. (1995) "Physisorption in a Molecular Helicoidal Cavity: Application to AlP04-5" Langmuir, 11, 197.