Molecular Simulation of Adsorption

Conference

AIChE Annual Meeting

Year

2007

Proceeding

2007 Annual Meeting

Group

Separations Division

Type

Oral

Room

M - Salon A

Location

Marriott Salt Lake City-Downtown

Time

Tuesday, November 6, 2007 - 12:30pm to 3:00pm

Chair(s)

Fuchs, A. H., ParisTech

Co-chair(s)

Striolo, A., The University of Oklahoma

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.

Presentations

12:30 PM

Introductory Remarks

12:35 PM

(250a) Modeling Adsorption And Desorption In Ordered Mesoporous Materials

12:55 PM

(250b) A Monte Carlo Study of Gas Adsorption on Atomistic Models of Templated Mesoporous Silicas

1:15 PM

(250c) Computational Investigation Of The Influence Of Surface Disorder On Wetting Behavior

Eric M. Grzelak

1:35 PM

(250d) Packing Induced Selectivity During Adsorption Of Long Chain N-Alkane Mixtures In Zeolites Under Liquid Phase Conditions

1:55 PM

(250e) Study on Hexane Adsorption in Zeolite Itq-29 by Molecular Simulation

Thijs J. H. Vlugt

2:15 PM

(250f) On the Crossing of Low Temperature Adsorption Isotherms of Argon on Graphite Surface

2:35 PM

(250g) The Binding Of Flue Gas Pollutants On Pd, Au, Ag, Cu And Their Alloys

Erdem Sasmaz

2:55 PM

Concluding Remarks

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