437 Molecular Simulation of Adsorption I

Wednesday, October 31, 2012: 8:30 AM
405 (Convention Center )
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
Computational Molecular Science and Engineering Forum (21)

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

Alexander V. Neimark
Email: aneimark@rci.rutgers.edu

8:52 AM
(437b) Adsorption of Carboxylate On Calcite (101 ̅4) Surface: Molecular Dynamics Simulation Approach
ByeongJae Chun, Seung Geol Lee, Giuseppe F. Brunello, Ji Il Choi and Seung Soon Jang

9:36 AM
(437d) Molecular Screening of Alcohol and Polyol Adsorption Onto MFI-Type Zeolites
Ruichang Xiong, Stanley I. Sandler and Dionisios G. Vlachos

10:20 AM
(437f) Pressure Enhancement in Nanopores: Effect of Pore Shape
Yun Long, Keith E. Gubbins, Erich A. Muller, George Jackson and Erik E. Santiso
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