Session: Molecular Simulation of Adsorption II (2012 Annual Meeting)

Description:

This session presents the most recent advances in the molecular simulations of adsorbents, adsorption phenomena, molecular recognition, adsorption properties and parameters, and mass transfer kinetics and properties.

Sponsor:

Adsorption and Ion Exchange

Co-Sponsor(s):

Thermodynamics and Transport Properties (01a)

Chair:

Peter I. Ravikovitch
ExxonMobil Research and Engineering Co
Annandale, NJ 08801
Email: peter.ravikovitch@exxonmobil.com

Co-Chair:

Cynthia Lo
Washington University in St. Louis
Department of Energy, Environmental and Chemical Engineering
St. Louis, MO 63112
Fax Number: 314-935-7211
Email: clo@wustl.edu

Papers:

509a

Using SAFT-FMT-DFT to Model the Adsorption of Light Gases and Hydrocarbons in Activated Carbon
Lucas A. Mitchell, Vanderbilt University; Bryan J. Schindler, Vanderbilt University; Carolina dos Ramos, Vanderbilt University; Clare McCabe, Vanderbilt University; Peter T. Cummings, Oak Ridge National Laboratory; M. Douglas LeVan, Vanderbilt University

509b

Removal of Oxygenated Species From Liquid Toluene by Adsorption
Cristian Brunchi, Delft University of Technology; Andrzej I. Stankiewicz, Delft University of Technology; Herman J. M. Kramer, Delft University of Technology; Thijs J. H. Vlugt, Delft University of Technology

509c

Multicomponent Adsorption of Alcohols Onto Silicalite-1 From Aqueous Solution: Assessment of Ideal Adsorbed Solution Theory
Peng Bai, University of Minnesota; Michael Tsapatsis, University of Minnesota; J. Ilja Siepmann, University of Minnesota

118g

Prediction of CO₂ Adsorption Properties in Zeolites Using Force Fields Derived From Periodic Dispersion-Corrected DFT Calculations
Hanjun Fang, Georgia Institute of Technology; Preeti Kamakoti, ExxonMobil Research and Engineering; Ji Zang, Georgia Institute of Technology; Stephen Cundy, ExxonMobil Research and Engineering; Charanjit Paur, ExxonMobil Research and Engineering; Peter I. Ravikovitch, ExxonMobil Research and Engineering; David S. Sholl, Georgia Institute of Technology

509e

CO2 /CH4 Separation in Zeolite-Like Metal Organic Frameworks
Baris Demir, Istanbul Technical University; M. Göktug Ahunbay, Istanbul Technical University

509f

Carbon Dioxide Adsorption On Mesoporous Amorphous Silica Surfaces with Tethered Propylamine Groups
Aleksey Vishnyakov, Rutgers, The State University of New Jersey; Aatto Laaksonen, Stockholm Univerisity; LiJun Chen, Stockholm University

509g

First-Principles Study of H2O Adsorption On the NaBH4(100) Surface
Ping Li, University of Pittsburgh; J. Karl Johnson, University of Pittsburgh; Michael A Matthews, University of South Carolina

See more of this Group/Topical: Separations Division

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