Session: Molecular Simulation of Adsorption II: (2009 Annual Meeting)

Description:

This session seeks submissions on molecular simulation of adsorption phenomena and systems.

Sponsor:

Adsorption and Ion Exchange

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Chair:

Peter A. Monson
Professor
Univ. of Massachusetts
Dept. of Chem. Engineering
Amherst, MA 01003-9303
Phone Number: 413 545 0661
Fax Number: 413 545 1647
Email: monson@ecs.umass.edu

Co-Chair:

Alberto Striolo

Papers:

700a

Calculation of Chemical Potential of Free and Adsorbed Polymers
Christopher Rasmussen, Rutgers University; Aleksey Vishnyakov, Rutgers University; Alexander V. Neimark, Rutgers, The State University of New Jersey

700b

Using Molecular Simulation to Understand Wetting at Rough Surfaces
Eric M. Grzelak, University at Buffalo; Jeffrey R. Errington, University at Buffalo

700c

Water Adsorption On Mica: Redistribution and Film Growth
Ateeque Malani, Indian Institute of Science; K. G. Ayappa, Indian Institute of Science

700d

Molecular-Based Mechanism of Surface Overcharging On Graphene/Aqueous Poly/Electrolyte Interfaces
Ariel A. Chialvo, Oak Ridge National Laboratory; J. Michael Simonson, Oak Ridge National Laboratory

700e

The Effect of Charge Distribution On RDX Adsorption in IRMOF-10
Ruichang Xiong, University of Tennessee; David J. Keffer, University of Tennessee; Miguel Fuentes-Cabrera, Joint Institute for Computational Science, University of Tennessee and Oak Ridge National Laboratory; Donald M. Nicholson, Oak Ridge National Laboratory; Andrea Mcihalkova, Jackson State University; Tetyana Petrova, Jackson State University; Jerzy Leszczynski, Jackson State University; Khorgolkhuu Odbadrakh, West Virginia University; James P. Lewis, West Virginia University

700f

Impact of Structural Factors On the Adsorption Properties of Metal Organic Frameworks (MOFs)
Jagadeswara R. Karra, Kansas State University; Krista Walton, Georgia Institute of Technology

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, Universidad Autonoma de Coahuila; Lilia Eugenia Serrato, Universidad Autonoma de Coahuila; Daniel Glossman-Mitnik, Centro de Investigacin en Materiales Avanzados

700h

A Molecular Dynamics and Grand Canonical Monte Carlo Study of Small Gas Molecules in Siliceous Decadodecasil 3R
Anthony J. Huth, University of Cincinnati; Vadim Guliants, University of Cincinnati

700i

Adsorption Kinetics of Propane and Propylene in 13X Zeolite
Miguel A. Granato, LSRE - Laboratory of Separation and Reaction Engineering - Faculty of Engineering - University of Porto; Alirio Rodrigues, LSRE - Laboratory of Separation and Reaction Engineering - Faculty of Engineering - University of Porto

See more of this Group/Topical: Separations Division

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