Molecular Simulation of Adsorption II

  • Conference: AIChE Annual Meeting
  • Year: 2006
  • Proceeding: 2006 Annual Meeting
  • Group:
    Separations Division
  • Type:
    Oral
  • Room:
    Sutter
  • Location:
    Hilton San Francisco
  • Time:
    Tuesday, November 14, 2006 - 3:15pm-5:45pm
Chair(s):
Siperstein, F. R., Universitat Rovira i Virgili
Co-chair(s):
Neimark, A. V., Rutgers, The State University of New Jersey

The session will cover a broad range of problems related to molecular simulations of equilibrium and non-equilibrium adsorption and capillary phenomena on surfaces and porous bodies, including Monte Carlo, molecular dynamics, density functional theory, and lattice techniques

Papers:
3:15 PM
Introductory Remarks
3:16 PM
(289a) Design of Organically Modified Silicas for Carbon Dioxide Adsorption
3:36 PM
(289b) Simulation of Adsorption in a Modified Zeolite Y Used for Separating Chiral Compounds
3:56 PM
(289c) Molecular Simulation of Liquid Phase Adsorption of Chain Molecules in Zeolites
4:16 PM
(289d) Selectivities for Binary Mixtures of Hydrogen/Methane and Hydrogen/Carbon Dioxide in Silicalite and Ets-10 by Grand Canonical Monte Carlo Techniques
4:36 PM
(289e) Determining Contact Angles from Molecular Simulation
4:56 PM
(289f) A Molecular Dynamics Investigation of the Relative Stability of Alkaline Earth Metal-Chloride Complexes in Aqueous Solutions and on Gibbsite Surfaces
5:16 PM
(289g) Molecular Simulation of Water Adsorption in Silicalite: Effect of Silanol Groups and Different Cations
5:36 PM
Concluding Remarks

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Pricing

Individuals

AIChE Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
Non-Members $225.00