Molecular Simulation of Adsorption | AIChE

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Molecular Simulation of Adsorption

Conference

AIChE Annual Meeting

Year

2005

Proceeding

2005 Annual Meeting

Group

Separations Division

Type

Oral

Location

Cincinnati Convention Center

Time

Tuesday, November 1, 2005 - 12:30pm to 3:00pm

Chair(s)

Neimark, A. V., Rutgers, The State University of New Jersey

To follow.

Presentations

12:30 PM
(223a) Adsorption Simulations and Biology: Grand Canonical Monte Carlo Calculations of Binding Locations, Occupancy, and Free Energies of Xenon in Comp and Mutant Phage T4 Lysozyme L99a
12:50 PM
(223b) Water Adsorption Isotherms in Molecularly Reconstructed Models of Activated and Un-Activated Carbons Obtained from Saccharose
1:10 PM
(223c) Coarse Graining of Molecular Models for Fluids in Porous Materials
1:30 PM
(223d) Adsorption of Nitrogen and Methane in Ets-4
1:50 PM
(223e) Adsorption of Water in Polyoxoniobate Materials. a Molecular Simulation Investigation
2:10 PM
(223f) Density Functional Theory Model of Adsorption on Amorphous and Microporous Solids
2:30 PM
(223g) Comparison of Adsorption of Spherical and Non-Spherical Nitrogen in Parallel Slit Pores Using Density Functional Theory: Density Profiles and Pore Size Distributions

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