Molecular Simulations of Methane Adsorption in Silicalite

References

• Ruthven , D. M. 1984 . Principles of Adsorption and Adsorption Processes , New York : Wiley Interscience .
   Google Scholar
• Barrer , R. M. 1978 . Zeolites and Clay Minerals as Sorbents and Molecular Sieves , New York : Academic Press .
   Google Scholar
• Chen , N. Y. and Degnan , T. F. Feb. . Industrial catalytic applications of zeolites . Chemical Engineering Progress , 32
   Google Scholar
• Vaughan , D. E.W. Feb. . The synthesis and manufacture of zeolites . Chemical Engineering Progress , 25
   Google Scholar
• June , R. L. , Bell , A. T. and Theodorou , D. N. 1990 . Prediction of low occupancy sorption of alkanes in silicalite . J. Phys. Chem. , 94 : 1508
   Web of Science ®Google Scholar
• June , R. L. , Bell , A. T. and Theodorou , D. N. 1990 . A molecular dynamics study of methane and xenon in silicalite . J. Phys. Chem. , 94 : 8232
   Web of Science ®Google Scholar
• Stroud , H. J.F. , Richards , E. , Limcharoen , P. and Parsonage , N. G. 1976 . Thermodynamic study of the Linde sieve 5A +methane system . J. Chem. Soc., Faraday Trans, 1 , 72 : 942
   Google Scholar
• Soto , J. L. and Myers , A. L. 1981 . Monte Carlo studies of adsorption in molecular sieves . Molecular Physics , 42 : 971
   Web of Science ®Google Scholar
• Woods , G. B. , Panagiotopoulos , A. Z. and Rowlinson , J. S. 1988 . Adsorption of fluids in model zeolite cavities . Molecular Physics , 63 : 49
   Web of Science ®Google Scholar
• Woods , G. B. and Rowlinson , J. S. 1989 . Computer simulations of fluids in zeolites X and Y . J. Chem. Soc., Faraday Trans. 2 , 85 : 765
   Google Scholar
• Olson , D. H. , Kokotailo , G. T. , Lawton , S. L. and Meier , W. M. 1981 . Crystal structure and structure-related properties of ZSM-5 . J. Phys. Chem. , 85 : 2238
   Web of Science ®Google Scholar
• Trouw , F. R. and Iton , L. E. June 1989 . “ Molecular dynamics simulation of the diffusion of methane in the pores of silicalite molecular sieve ” . In Zeolites for the Nineties, Recent Research Reports , Edited by: Jansen , J. C. , Moscou , L. and Post , M. F.M. 309 – 310 . Amsterdam . presented at the 1989 International Zeolite Conference
   Google Scholar
• Yamazaki , T. , Watanuki , I. , Ozawa , S. and Ogino , Y. 1987 . An IR study on methane adsorbed on ZSM-5 type zeolites . Nippon Kagaku Kaishi , 8 : 1535
   Google Scholar
• Murad , S. and Gubbins , K. E. 1978 . Molecular dynamics simulation of methane using a singularity-free algorithm . Computer Modeling of Matter, A.C.S. Symp. Ser. , 86 : 62
   Google Scholar
• Schultz , M. 1973 . Spline Analysis , Englewood Cliffs : Prentice Hall .
   Google Scholar
• Widom , B. 1963 . Some topics in the theory of fluids . J. Chem. Phys. , 39 : 2808
   Web of Science ®Google Scholar
• Widom , B. 1982 . Potential-distribution theory and the statistical mechanics of fluids . J. Phys. Chem. , 86 : 869
   Web of Science ®Google Scholar
• Panagiotopoulos , A. Z. 1987 . Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble . Molecular Physics , 61 : 813
   Web of Science ®Google Scholar
• Panagiotopoulos , A. Z. 1987 . Adsorption and capillary condensation of fluids in cylindrical pores by Monte Carlo simulation in the Gibbs ensemble . Molecular Physics , 62 : 701
   Web of Science ®Google Scholar
• Adams , D. J. 1974 . Chemical potential of hard-sphere fluids by Monte Carlo methods . Molecular Physics , 28 : 1241
   Web of Science ®Google Scholar
• Adams , D. J. 1975 . Grand canonical ensemble Monte Carlo for a Lennard-Jones fluid . Molecular Physics , 29 : 307
   Web of Science ®Google Scholar
• Mezei , M. 1987 . Grand canonical ensemble Monte Carlo study of dense liquid Lennard-Jones, soft spheres and water . Molecular Physics , 61 : 656
   Google Scholar
• Edberg , R. , Evans , D. J. and Moriss , G. P. 1986 . Constrained molecular dynamics: Simulations of liquid alkanes with a new algorithm . J. Chem. Phys. , 84 : 6933
   Web of Science ®Google Scholar
• Allen , M. P. and Tildesley , D. J. 1987 . Computer Simulation of Liquids , Oxford : Clarendon Press .
   Google Scholar
• Widom , B. 1978 . Structure of interfaces from uniformity of the chemical potential . Journal of Statistical Physics , 19 : 563
   Web of Science ®Google Scholar
• Heinbuch , U. and Fischer , J. 1987 . On the application of Widom's test particle method to homogeneous and inhomogeneous fluids . Molecular Simulation , 1 : 109
   Web of Science ®Google Scholar
• Cheng , A. and Steele , W. A. 1990 . Computer simulation study of the chemical potential of argon adsorbed graphite . Molecular Simulation , 4 : 349
   Web of Science ®Google Scholar
• Powles , J. G. , Evans , W. A.B. and Quirke , N. 1982 . Non-destructive molecular-dynamics simulation of the chemical potential of a fluid . Molecular Physics , 46 : 1347
   Web of Science ®Google Scholar
• Fincham , D. , Quirke , N. and Tildesley , D. J. 1986 . Computer simulation of molecular liquid mixtures. I. A diatomic Lennard-Jones model mixture for CO2/C2H6 . J. Chem. Phys. , 84 : 4535
   Web of Science ®Google Scholar
• Yamazaki , T. , Watanuki , I. , Ozawa , S. and Ogino , Y. 1988 . Infrared spectra of methane of methane adsorbed by ion-exchanged ZSM-5 zeolites . Langmuir , 4 : 433
   Web of Science ®Google Scholar
• Papp , H. , Hinsen , W. , Do , N. T. and Baerns , M. 1984 . The adsorption of methane on H-ZSM-5 zeolite . Thermochimica Acta , 82 : 137
   Web of Science ®Google Scholar
• Ding , T. , Ozawa , S. and Ogino , Y. 1988 . Adsorption equilibria of methane, nitrogen, and carbon dioxide on ZSM-5 . Zhejiang Daxue Xuebao , 22 : 124
   Google Scholar
• Chiang , A. S. , Dixon , A. G. and Ma , Y. H. 1984 . The determination of zeolite crystal diffusivity by gas chromatography - II. Experimental . Chemical Engineering Science , 39 : 1461
   Web of Science ®Google Scholar
• Ozawa , S. , Kusumi , S. and Ogino , Y. 1976 . Physical adsorption of gases at high pressure IV. An improvement of the Dubinin-Astakhov adsorption equation . Journal of Colloid and Interface Science , 56 : 83
   Web of Science ®Google Scholar
• Hill , T. L. 1986 . An Introduction to Statistical Thermodynamics , New York : Dover .
   Google Scholar
• Demontis , P. , Fois , E. S. , Suffritti , G. B. and Quartieri , S. 1990 . Molecular dynamics studies on zeolites. 4. Diffusion of methane in silicalite . J. Phys. Chem. , 94 : 4329
   Web of Science ®Google Scholar
• Jobic , H. , Bee , M. , Caro , J. , Bülow , M. and Kärger , J. 1989 . Molecular self-diffusion of methane in zeolite ZSM-5 by quasi-elastic neutron scattering and nuclear magnetic resonance pulsed field gradient technique . J. Chem. Soc., Faraday Trans , 1 : 4201
   Google Scholar