510 Molecular Simulation of Adsorption II

Wednesday, November 19, 2014: 12:30 PM
310 (Hilton Atlanta)
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.

Adsorption and Ion Exchange

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

Flor R. Siperstein
Email: flor.siperstein@manchester.ac.uk

- indicates paper has an Extended Abstract file available on CD.

2:24 PM
(510g) Understanding the Unusual Adsorption Behavior in Hierarchical Zeolite Nanosheets
Peng Bai, Emmanuel Haldoupis, David H. Olson, Michael Tsapatsis and J. Ilja Siepmann

2:43 PM
(510h) Force Field Development for Gas Adsorption in the M-MOF-74 Series Based on First Principles Calculations
Emmanuel Haldoupis, Huiliang Shi, Joshua Borycz, Konstantinos D. Vogiatzis, Laura Gagliardi and J. Ilja Siepmann
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