Molecular Simulation of Adsorption I: | AIChE

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Molecular Simulation of Adsorption I:

Conference

AIChE Annual Meeting

Year

2009

Proceeding

2009 Annual Meeting

Group

Separations Division

Type

Oral

Room

Canal B

Location

Gaylord Opryland Hotel

Time

Friday, November 13, 2009 - 8:30am to 11:00am

Chair(s)

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

This session seeks submissions on molecular simulation of adsorption phenomena and systems.

Presentations

8:30 AM
(665a) Computer Simulation of Adsorption and Molecular Recognition Phenomena in Imprinted Polymers
8:45 AM
(665b) Computational Study of Small Molecules with the Open Metal Sites in Cu-BTC and CPO-Ni-27
9:00 AM
(665c) Low Coverage Adsorption Properties of Hydrocarbons On the Metal-Organic Framework MIL-47 Studied by Monte Carlo Simulations and Pulse Chromatography
9:15 AM
(665d) Molecular Modeling of the Adsorption of Harmful Gases in Metal-Organic Frameworks
9:30 AM
(665e) Molecular Simulation Study of CO2 Selectively Capture From Pre- and Post-Combustion Mixture Using Latent Porous Crystal Copper-Organic Framework Adsorbents
9:45 AM
(665f) Dynamic Mean Field Theory for Fluids in Porous Materials: Comparison with Higher Order Approximations and Molecular Simulations
10:00 AM
(665g) Exploring the Adsorption and Dynamics of Water in Zeolite-Like Metal-Organic Frameworks Using Atomistic Simulations
10:15 AM
(665h) Grand Canonical Monte Carlo Simulations of CO2 and N2 Adsorption in Na-ZSM-5
10:30 AM
(665i) A Comparison of Experimental Diffusion Coefficients of Small Gases in Silicalite-1 with Molecular Dynamics Predictions Based On COMPASS and CVFF Forcefields
10:45 AM
(665j) Atomistic Models of Activated Carbons

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