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Computational Study Of Molecular Hydrogen In Zeolite Na-A. I. Potential Energy Surfaces And Thermodynamic Separation Factors For Ortho And Para Hydrogen, Cherry-Rose K. Anderson , '95, D. F. Coker, J. Eckert, Amy Lisa Graves
Computational Study Of Molecular Hydrogen In Zeolite Na-A. I. Potential Energy Surfaces And Thermodynamic Separation Factors For Ortho And Para Hydrogen, Cherry-Rose K. Anderson , '95, D. F. Coker, J. Eckert, Amy Lisa Graves
Physics & Astronomy Faculty Works
We simulate H-2 adsorbed within zeolite Na-A. We use a block Lanczos procedure to generate the first several (9) rotational eigenstates of the molecule, which is modeled as a rigid, quantum rotor with an anisotropic polarizability and quadrupole moment. The rotor interacts with Na cations and O anions; interaction parameters are chosen semiempirically and the truncation of electrostatic fields is handled with a switching function. A Monte Carlo proceedure is used to sample a set of states based on the canonical distribution. Potential energy surfaces, favorable adsorbtion sites, and distributions of barriers to rotation are analyzed. Separation factors for ortho-parahydrogen …
Experimental Studies Of Magnetic Reconnection, Michael R. Brown
Experimental Studies Of Magnetic Reconnection, Michael R. Brown
Physics & Astronomy Faculty Works
Laboratory magnetic reconnection experiments have been performed for nearly 20 years. Elegant experiments by Stenzel and Gekelman [R. L. Stenzel and W. Gekelman, Phys. Rev. Lett. 42, 1055 (1979); W. Gekelman and R. L. Stenzel, Phys. Rev. Lett. 54, 2414 (1985)] focused on the measurement of field quantities with a single movable probe in a highly reproducible plasma. Observations included a very thin current sheet (on the order of c/ωpe), accelerated electrons, and whistler waves. The argon ions were unmagnetized in these experiments. Recent magnetohydrodynamic (MHD) experiments by Yamada and Ono have used merging plasmoids [M. Yamada, Y. Ono, A. …