437 Molecular Simulation of Adsorption I

Wednesday, October 31, 2012: 8:30 AM
405 (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
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)

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

Co-Chair:
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
See more of this Group/Topical: Separations Division