McCormick/Davis Zeolite Research Group List of Papers


Gupta, Vishwas et al.

  • "Single file diffusion of ethane in the molecular sieve AlPO4-5", V. Gupta, S.S. Nivarthi, A.V. McCormick, H.T. Davis, Chem. Phys. Lett. 1995 247 p. 596

  • "129Xe NMR Chemical Shifts in Zeolite-Y: Simulation and Experiment", V. Gupta, H.T. Davis, A.V. McCormick, J. Phys. Chem. 1996 100 p.984 .

  • "Computer Simulation of Xenon in Zeolite-Y", V. Gupta, H.T. Davis, A.V. McCormick, MRS Symposium Proceedings Spring, 1996.

  • "129Xe NMR Chemical Shifts in Zeolites: Effect of Loading studied by Monte Carlo Simulations", V. Gupta, D. Kim, H.T. Davis, A.V. McCormick, in progress .


    Keffer, David et al. (Ph.D. June, 1996)

  • "The effect of nanopore shape on the structure and isotherms of adsorbed fluids", D. Keffer, H.T. Davis, A.V. McCormick, Adsorption 1996 2 p.9.

  • "The effect of nanopore shape and loading on adsorption selectivity of a binary mixture," D. Keffer, H.T. Davis, A.V. McCormick, J. Phys. Chem. 1996 100 p. 638.

  • "Diffusion and Percolation on Zeolite Sorption Lattices", D. Keffer, A.V. McCormick, H.T. Davis, J. Phys. Chem. 1996 100 p. 967.

  • "Single-file and uni-directional diffusion in AlPO4-5: a molecular dynamics study", D. Keffer, A.V. McCormick, H.T. Davis, Mol. Phys. 1996 87 p. 367.

  • "Agreement between Theory and Simulation of Single-file diffusion in a molecular sieve", D. Keffer, A.V. McCormick, H.T. Davis, Proceedings from the XI International Workshop on Condensed Matter Theories, Caracas, Venezuela, June, 1995.

  • "A compendium of zeolite potential energy maps," D. Keffer, Vishwas Gupta, David Kim, Elizabeth Lenz, H.T. Davis, A.V. McCormick, J. Mol. Graphics 1996 ? p. ?.

  • "The placement and energetics of a paradigm template and water: I. One-dimensional zeolites", D. Keffer, H. T. Davis, A.V. McCormick, unpublished.

  • "The Effect of a dynamic crystal lattice on adsorbate density distributions in molecular seives", D. Keffer, A.V. McCormick, H.T. Davis in progress.


    Mitchell, Martha et al.

  • "Predicting adsorption in one-dimensional zeolite pores with the exact theory of one-dimensional hard rods", Martha C. Mitchell, A.V. McCormick, H.T. Davis, Mol. Phys. 1994 83 p. 429-437.

  • "Predicting adsorption of Xe in zeolite NaA using Molecular Density Functional Theory", Martha C. Mitchell, A.V. McCormick, H.T. Davis, Z. Phys. B 1995 97 p. 353.


    Nivarthi, Sriram et al. (Ph.D. April, 1995)

  • "Rates of intercage hopping in NaA studied by 129Xe inversion-recovery NMR experiments", S.S. Nivarthi, A. V. McCormick, Microporous Materials 1994 3 p. 47.

  • "Monte Carlo simulation of Xenon adsorption with dealumination of an idealized Mordenite Structure", S.S. Nivarthi, P.R. Van Tassel, H.T. Davis, A.V. McCormick, Zeolites 1995 15 p. 40.

  • "Diffusion Anisotropy in Molecular Sieves: A Fourier Transform PFG NMR Study of Methane in AlPO4-5", S.S. Nivarthi, A. V. McCormick, H.T. Davis, Chem. Phys. Lett. 1994 229 p. 297.

  • "Diffusion of Coadsorbed Molecules in Zeolites: A PFG NMR Study", S.S. Nivarthi, A.V. McCormick, J. Phys. Chem. 1995 99 p. 4661.

  • "Adsorption and Energetics of Xenon in Mordenite: A Monte Carlo Simulation Study", S.S. Nivarthi, P.R. Van Tassel, H.T. Davis, A.V. McCormick, J. Chem. Phys. 1995 103 p. 3029

  • "Robustness of methane diffusion in geometrically restricted molecular sieve pores", S.S. Nivarthi, H.T. Davis, A.V. McCormick, MRS Symposium Proceedings: Dynamics in Small Confining Systems II, J.M. Drake, S.M. Troian, J. Klarfter, R. Kopelman, (Eds.), Vol. 366, pages 207-212.

  • "Effectiveness of window blocking in zeolite NaY by strongly coadsorbed molecules: A PFG NMR study", S.S. Nivarthi, H.T. Davis, A.V. McCormick, Chem. Eng. Sci. 1995 50 3217.

    Van Tassel, Paul et al. (Ph.D. September, 1993)

  • "Monte Carlo calculations of adsorbate placement and thermodynamics in a micropore: Xe in NaA", P. R. Van Tassel, H.T. Davis, A.V. McCormick, Mol. Phys. 1991 73(5), p. 1107-1125.

  • "Monte Carlo calculations of Xe arrangement and energetics in the NaA alpha cage", P.R. Van Tassel, H.T. Davis, A.V. McCormick, Mol. Phys. 1992 76(2) p. 411-432.

  • "Open-system Monte Carlo simulations of Xe in NaA", P.R. Van Tassel, H.T. Davis, A.V. McCormick, J. Chem. Phys. 1993 98(11), p. 8919-8928.

  • "Zeolite Adsorption site location and shape shown by simulated isodensity surfaces", P.R. Van Tassel, J.C. Phillips, H.T. Davis, A.V. McCormick, J. Mol. Graphics 1993 11 p. 180-188.

  • "New Lattice Model for adsorption of small molecules in zeolite micropores", P.R. Van Tassel, H.T. Davis, A.V. McCormick, AIChE J. 1994 40, p. 925.

  • "Lattice model and simulation of dynamics of adsorbate motion in zeolites", P.R. Van Tassel, S.A. Somers, H.T. Davis, A.V. McCormick, Chem. Eng. Sci. 1994 49(17) p.2979-2989.

  • "Adsorption simulations of small molecules and their mixtures in a zeolite micropore", P.R. Van Tassel, H.T. Davis, A.V. McCormick, Langmuir 1994 10 p. 1257.

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