2011 Annual Meeting

Session: Molecular Simulation of Adsorption I

Chair

Alexander V. Neimark, Rutgers University

Co-Chair

Daniel W. Siderius, National Institute of Standards and Technology (NIST)

Presentations

08:30 AM

(242a) Use of the Transition Matrix Monte Carlo Simulation Method to Study Metastability and Phase Transitions In Gas Adsorption Processes
Daniel W. Siderius

08:50 AM

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

09:10 AM

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

09:30 AM

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

09:50 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

10:10 AM

(242f) High Pressure Effects In Nanopores
Yun Long, Benoit Coasne, Keith E. Gubbins

10:30 AM

(242g) Sensitivity of Adsorption Isotherms to Minor Differences In Zeolite Structures: A Computational Investigation