Session: Molecular Simulation of Adsorption I (2010 Annual Meeting)

Monday, November 8, 2010: 12:30 PM

250 A Room (Salt Palace Convention Center)

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):

Computational Molecular Science and Engineering Forum (21)

Chair:

Alexander V. Neimark
Email: aneimark@Rutgers.edu

Co-Chair:

Peter I. Ravikovitch
Email: peter.ravikovitch@exxonmobil.com

12:30 PM

(109a) Molecular Modeling of Nanoporous Carbons: Atomistic Models and Simulated Adsorption
Jeremy C. Palmer, John K. Brennan and Keith E. Gubbins

12:48 PM

(109b) Characterization of Carbonaceous Materials by Simulations of CO2 Adsorption
Santiago Builes, Thomas Roussel, Camelia Ghimbeu, Julien Parmentier, Roger Gadiou, Cathie Vix-Guterl and Lourdes F. Vega

1:06 PM

(109c) Simulated Adsorption and Characterization of Novel Nanoporous Polymers
Gregory S. Larsen, Ping Lin and Coray M. Colina

1:24 PM

(109d) Quasi-High Pressure Effects in Nanopores
Yun Long, Jeremy C. Palmer, Benoit Coasne, Malgorzata Sliwinska-Bartkowiak and Keith E. Gubbins

1:42 PM

(109e) Expansion and Contraction of Mesoporous Adsorbents: Macroscopic Approach and Density Functional Theory
Gennady Gor and Alexander V. Neimark

2:00 PM

(109f) Oligomer Adsorption in Cylindrical Pores: a Comparison of Density Functional Theory and Discontinuous Molecular Dynamics Simulation
L. Anderson Strickland, Stepan Hlushak, Peter Cummings and Clare McCabe

2:18 PM

(109g) Studies of Polymer Adsorption Using the Incremental Gauge Cell Monte Carlo Method
Christopher J. Rasmussen, Aleksey Vishnyakov and Alexander V. Neimark

2:36 PM

(109h) Quantum Effect-Mediated Molecular Sieving of Hydrogen Isotopes
Suresh K. Bhatia, Thanh Nguyen and H. Jobic

See more of this Group/Topical: Separations Division

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