Cryogenic Hydrogen Adsorption onto H-, Li-, Na-Exchanged Zeolites with Various Si/Al Ratios

First principles derived, transferable force fields for CO2 adsorption in Na-exchanged cationic zeolites.

The development of accurate force fields is vital for predicting adsorption in porous materials. Previously, we introduced a first principles-based transferable force field for CO2 adsorption in siliceous zeolites (Fang et al., J. Phys. Chem. C, 2012, 116, 10692). In this study, we extend our approach to CO2 adsorption in cationic zeolites which possess more complex structures. Na-exchanged zeo...

Adsorption Onto Na-Mordenite

In the present study, the adsorption behaviors of mordenite (a common zeolite) with respect to Cu 2+ and Ni 2+ from aqueous solutions were investigated. The sorption data followed the Freundlich and Langmuir isotherms. The maximum sorption capacities were found to be 9.778 and 5.371 mg/g at pH 6, initial concentration of 40 mg/L and temperature of 30 for Cu 2+ and Ni 2+ , respectively. The kine...

Adsorption of Carbon Dioxide on Alkali Metal Exchanged Zeolites

Hydrogen Adsorption on (5,0) and (3,3) Na-decorated BNNTs

The storage capacity of hydrogen on Na-decorated born nitride nanotubes (BNNTs) is investigated by using density functional theory within Quantum Espresso and Gaussian 09. The results obtained predict that a single Na atom tends to occupy above the central region of the hexagonal rings in (5,0) and (3,3) BNNT structures with a binding energy of -2.67 and -4.28 eV/Na-atom respectively. When a si...

Towards a Better Understanding of Over Exchanged Metal Sorption onto Zeolites

LaTonia Belcher and Sarah Teren under the supervision of: John Regalbuto and Marc Schreier Department of Chemical Engineering University of Illinois at Chicago ______________________________________________________________________ ABSTRACT: Currently the procedure on how to make over exchanged Cu-ZSM-5 is well known and can be made at many different exchange rates [1]. However, no one understan...