483 Molecular Simulation of Adsorption II

Wednesday, November 11, 2015: 8:30 AM - 11:00 AM
255D (Salt Palace 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
Chair:
Peter I. Ravikovitch Email: peter.ravikovitch@exxonmobil.com
Co-Chair:
Daniel W. Siderius Email: daniel.siderius@nist.gov


8:30 AM
(483a) Polymer adsorption in nanopores and nanoporous substrates
Richard T. Cimino, Christopher J. Rasmussen, Yefim Brun and Alexander V. Neimark


8:51 AM
(483b) Adsorption-Induced Surface Stresses Based on Electronic Structure DFT Calculations
Gennady Gor and Noam Bernstein


9:12 AM
(483c) Large-Scale Topologically-Guided Design of Metal-Organic Frameworks and Application to Cryo-Adsorbed Hydrogen Storage
Diego A. Gomez Gualdron, Yamil J. Colón and Randall Q. Snurr


9:33 AM
(483d) Adsorptive Separation of Xylene Isomers Using Zn2(BDC)2(DABCO) [MOF1] Metal Organic Framework
Sudeep Punnathanam and Arun Gopalan


9:54 AM
(483e) Temperature and Loading-Dependent Diffusion of Light Hydrocarbons in ZIF-8 As Predicted through Fully Flexible Molecular Simulations
Ross Verploegh, Sankar Nair and David S. Sholl


10:15 AM
(483g) Hydrogen Isotope Separation By Carbonaceous Materials
Hideki Tanaka and Minoru Miyahara
See more of this Group/Topical: Separations Division
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