Molecular Simulation of Adsorption I

Conference

AIChE Annual Meeting

Year

2008

Proceeding

2008 Annual Meeting

Group

Separations Division

Type

Oral

Room

Salon I

Location

Marriott Philadelphia Downtown

Time

Wednesday, November 19, 2008 - 8:30am to 11:00am

Chair(s)

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

Co-chair(s)

Turner, H., University of Alabama

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

8:30 AM

(426a) Computational Studies of Gas Adsorption In Aerogels: The Effects of Gel Flexibility on Adsorptive Behavior

Lev D. Gelb

8:46 AM

(426b) A Novel Approach for Comparison of Adsorption Equilibrium Results Between Experiments and Simulations

9:02 AM

(426c) Molecular Simulation of Selective Paraffin Adsorption from Olefin/paraffin Mixtures by Aluminum Methylphosphonate-a

9:18 AM

(426d) A Molecular Dynamics Study of Sodium Dodecyl Sulfate (SDS) at the Silica-WATER Interface: pH Effect

9:34 AM

(426e) Hybrid Reverse Monte Carlo Simulations of Activated Carbons Used as Adsorbents for Chemical and Biological Warfare Agents

9:50 AM

(426f) Transition from Fickian to Single-File Diffusion for Binary Lennard-Jones Mixtures In Single-Walled Carbon Nanotubes

10:06 AM

(426g) Glassy Dynamics of Confined Fluids

S. H. Krishnan

10:22 AM

(426h) Structural Changes In Nanoporous Solids Due to Fluid Adsorption: Thermodynamic Analysis and Monte Carlo Simulations

10:38 AM

(426i) A High-Resolution Lattice Model for Adsorption: Weighted Density Functional Theory for Lattice Fluids and Application to Adsorption In Porous Materials

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Pricing

Individuals

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AIChE Graduate Student Members	Free
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AIChE Explorer Members	$225.00
Non-Members	$225.00