484 Effects of Confinement on Molecular Properties

Wednesday, October 31, 2012: 12:30 PM
411 (Convention Center )
Description:
Confinement in nanostructures like adsorbent and membrane pores often leads to peculiar thermodynamic and transport properties. This session welcomes computational and experimental studies that explore these behaviors.

Sponsor:
Thermodynamics and Transport Properties

Chair:
Marc D. Donohue
Email: mdd@jhu.edu

Co-Chair:
Alexander V. Neimark
Email: aneimark@rci.rutgers.edu


12:30 PM
(484a) Accurate and Robust Classical Density Functional Theory for the Adsorption of Fluids Into Nanoporous Materials
Stepan Hlushak, Clare McCabe and Peter T. Cummings

12:52 PM
(484b) Aqueous Carbon Dioxide Environments Under Silica Nano Confinement
Ariel A. Chialvo, Lukas Vlcek and David R. Cole

1:14 PM
(484c) Molecular Simulation Study of the Dynamics of Ionic Liquid (IL) 1-n-Butyl-3-Methyl-Imidazolium-Bis(trifluoromethanesulfonyl)Imide [Bmim][NTf2] Confined in Graphite Slit Pore
Samir Budhathoki, Jindal Shah and Edward J. Maginn

1:36 PM
(484d) Statistical Mechanics of Fluids At Interfaces and Under Confinement Via Mayer-Sampling Monte Carlo Simulation
Jung Ho Yang, Andrew J. Schultz, Jeffrey R. Errington and David A. Kofke

1:58 PM
(484e) Molecular Dynamics Simulation of the Ionlic Liquid [EMIM+][TFMSI-] Confined Inside a Slit Rutile (110) Nanopore
Ramesh Singh, Nav Nidhi Rajput, Joshua D. Monk and Francisco R. Hung

2:20 PM
(484f) Molecular Modeling of Gases Absorption in 1-n-Hexyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)Imide ([hmim][Tf2N]) Confined in Silica Slit Pores
Wei Shi

2:42 PM
(484g) Melting Transition of Confined Lj Solid
Chandan K. Das and Jayant K. Singh
See more of this Group/Topical: Engineering Sciences and Fundamentals
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