572 Molecular Simulation of Adsorption II


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:
Daniel W. Siderius
National Institute of Standards and Technology
Chemical Sciences Division
100 Bureau Dr Stop 8320
Gaithersburg, MD
20899-8320
Fax Number: 301-869-4020
Email: daniel.siderius@nist.gov

Co-Chair:
Li-Chiang Lin
Assistant Professor
The Ohio State University
Chemical and Biomolecular Engineering
Columbus, OH
94720
Email: lin.2645@osu.edu


Papers:
572a
Solution-Phase Adsorption of Furan and Carboxylic Acid in Hierarchical Zeolites:Insights from Molecular Simulation
Tyler R. Josephson, University of Minnesota; Kristeen Esther Joseph, University of Minnesota; Paul J. Dauenhauer, University of Minnesota; J. Ilja Siepmann, University of Minnesota
572b
Aquatic Pollutant Removal By Adsorption in Zeolite Structures: An Experimental and Molecular Simulation Study
Máté Erdős, Delft University of Technology; Nan Jiang, Delft University of Technology; Sebastian G. J. Heijman, Delft University of Technology; Othonas A. Moultos, Delft University of Technology
572c
First-Principles-Derived Force Fields for CH4 Adsorption and Diffusion in Siliceous Zeolites
Hanjun Fang, Georgia Institute of Technology; Rohan Awati, Georgia Institute of Technology; Salah Eddine Boulfelfel, Georgia Institute of Technology; Peter I. Ravikovitch, ExxonMobil Research and Engineering; David S. Sholl, Georgia Institute of Technology
572d
Investigating High Pressure Methane Storage Using Lennard-Jones Crystals
Alec R. Kaija, University of Pittsburgh
572e
Formaldehyde Adsorption Performance of Selected Metal-Organic Frameworks from High-Throughput Computational Screening
Wei Li, HuaZhong University of Science and Technology
Break
572g
Modeling and Simulation of Multicomponent Adsorption Columns
Gerassimos Orkoulas, Widener University; Dipendu Saha, Widener University
Abstract Submissions Closed
See more of this Group/Topical: Separations Division
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