Session: Molecular Simulation of Adsorption I (2011 Annual Meeting)

Tuesday, October 18, 2011: 8:30 AM

205 B (Minneapolis 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

Chair:

Alexander V. Neimark
Email: aneimark@Rutgers.edu

Co-Chair:

Daniel W. Siderius
Email: daniel.siderius@nist.gov

8:30 AM

(242a) Use of the Transition Matrix Monte Carlo Simulation Method to Study Metastability and Phase Transitions In Gas Adsorption Processes
Daniel W. Siderius, William P. Krekelberg and Vincent K. Shen

8:50 AM

(242b) Understanding Adsorption Hysteresis In Porous Silicon
John Edison, Philipp Zeigermann, R. Valiullin, J. Karger, Matthias Thommes and Peter A. Monson

9:10 AM

(242c) Monte-Carlo Simulation of the Capillary Condensation Hysteresis In Overlapping Spherical Cavities
Gennady Gor, Christopher J. Rasmussen and Alexander V. Neimark

9:30 AM

(242d) Adsorption of CO2 Using Amine Functionalized Silica
Santiago Builes and Lourdes F. Vega

9:50 AM

(242e) Simulated and Experimental Adsorption Equilibria of Light Alkanes In MIL-53(Al) Metal-Organic Framework
Andrey I. Lyubchyk, Isabel A. A. C. Esteves, Fernando J. A. L. Cruz and José P. B. Mota

10:10 AM

(242f) High Pressure Effects In Nanopores
Yun Long, Jeremy C. Palmer, Benoit Coasne, Malgorzata Sliwinska-Bartkowiak and Keith E. Gubbins

10:30 AM

(242g) Sensitivity of Adsorption Isotherms to Minor Differences In Zeolite Structures: A Computational Investigation
Peng Bai, Michael Tsapatsis and J. Ilja Siepmann

See more of this Group/Topical: Separations Division

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