The University of Tennessee The Department of Chemical Engineering

---

Molecular Simulation Images from the Computational Materials Research Group

These animations are created from various molecular dynamics simulations and quantum calculations.  The JavaScript code JSMol is used to view and interact with these structures. Therefore, a modern browser capable of running JavaScript is required. In 2014, Eleanor Leffler updated these pages from Chime to JSMol.

Animations by Parag Adhangale, Weijing Dang and David Keffer. methane in zeolite-Y  (small system, framework visible, 1999) methane in zeolite-Y  (large system, framework invisible, 1999) structure of AlPO4-5 zeolite-Y (faujusite) framework zeolite-Y with adsorption sites single cage of zeolite-Y Methane and Ethane in AlPO4-5  (framework invisible) (2000) Ethane in AlPO4-5  (framework invisible) (2000) DIFFUSION ANIMATION :   diffusion of pure Methane and pure Ethane in the molecular seive, AlPO4-5. (framework invisible) (1998) DIFFUSION ANIMATION :   diffusion of a mixture of Methane and Ethane in the molecular seive, AlPO4-5. (framework invisible) (1998)

Contact:  email