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

Tuesday, October 18, 2011: 3:15 PM

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

Co-Sponsor(s):

Engineering Sciences and Fundamentals (01)

Chair:

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

Co-Chair:

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

3:15 PM

(392a) Heterogeneous Cavitation of Metastable Nitrogen In Spherical Pores with Non-Wetting Defects
Christopher J. Rasmussen, Gennady Gor and Alexander V. Neimark

3:35 PM

(392b) Molecular Screening of Alcohol Adsorption Onto Zeolite From Aqueous Solution
Ruichang Xiong, Dionisios G. Vlachos and Stanley I. Sandler

3:55 PM

(392c) Dynamic Mean Field Theory for Mixtures Confined In Porous Materials
John Edison and Peter A. Monson

4:15 PM

(392d) Adsorption of CO2 In a Spin-Crossover Metal Coordination Polymer
Jinchen Liu, De-Li Chen, Jeffery Culp, Angela Goodman and J. Karl Johnson

4:35 PM

(392e) Supercritical CO2 Adsorption In Micro- and Mesoporous Carbon
Yangyang Liu, Ronny Pini, Marco Mazzotti and Jennifer Wilcox

4:55 PM

(392f) Cation-Exchanged Zeolites As the Adsorbent for H2S: Quantum Chemical Calculations
Chun-Yi Sung, Matteo Cococcion, Alon McCormick and Michael Tsapatsis

5:15 PM

(392g) A Reactive Molecular Dynamics Simulation of Hydrogen Sulfide Dissociation Over Graphene Oxide
Liangliang Huang, Jeremy C. Palmer and Keith E. Gubbins

See more of this Group/Topical: Separations Division

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