2009 Annual Meeting

Session: Molecular Simulation of Adsorption II:

Chair

Peter A. Monson, Univ. of Massachusetts

Co-Chair

Alberto Striolo, The University of Oklahoma

Presentations

12:30 PM

(700a) Calculation of Chemical Potential of Free and Adsorbed Polymers
Christopher J. Rasmussen, Aleksey Vishnyakov, Alexander V. Neimark

12:45 PM

(700b) Using Molecular Simulation to Understand Wetting at Rough Surfaces
Eric M. Grzelak

01:00 PM

(700c) Water Adsorption On Mica: Redistribution and Film Growth

01:15 PM

(700d) Molecular-Based Mechanism of Surface Overcharging On Graphene/Aqueous Poly/Electrolyte Interfaces
J. Michael Simonson

01:30 PM

(700e) The Effect of Charge Distribution On RDX Adsorption in IRMOF-10
Ruichang Xiong, David J. Keffer, Donald M. Nicholson, Andrea Mcihalkova, Tetyana Petrova, Jerzy Leszczynski, Khorgolkhuu Odbadrakh, James, P. Lewis

01:45 PM

(700f) Impact of Structural Factors On the Adsorption Properties of Metal Organic Frameworks (MOFs)
Jagadeswara R. Karra, Krista S. Walton

02:00 PM

(700g) Grand Canonical Monte Carlo Simulations of Adsorption Isotherms of Pure and Binary Mixtures of Hydrogen-Methane in MOF-5, MOF-177, IRMOF-11, MOF-14 and MOF-74
Marco Gallo, Lilia Eugenia Serrato, Daniel Glossman-Mitnik

02:15 PM

(700h) A Molecular Dynamics and Grand Canonical Monte Carlo Study of Small Gas Molecules in Siliceous Decadodecasil 3R
Anthony J. Huth, Vadim Guliants

02:30 PM

(700i) Adsorption Kinetics of Propane and Propylene in 13X Zeolite