Modeling New Adsorbents for Ethylene/Ethane Separations by Adsorption via {Pi}-Complexation
Journal Article
·
· Fluid Phase Equilibria
OSTI ID:834672
The adsorption of olefins and paraffins in a novel model porous adsorbent is studied by means of molecular simulations. The adsorbents are synthesized by effective dispersion of CuCI on substrates with hydrocarbon-phobic surfaces, such as {gamma}-A1{sub 2}O{sub 3}. The Cu(I) cations are able to undergo {pi}-complexation with olefin molecules. Ethane and ethylene are studied as adsorbents, and the molecules are modeled as having two Lennard-Jones sites. Ethylene molecules have two additional associating square-well sites placed in the line perpendicular to the symmetry axis of the molecules in order to reproduce the {pi}-complexation.
- Research Organization:
- Cornell University, Ithaca, NY (US)
- Sponsoring Organization:
- USDOE Office of Energy Research (ER) (US)
- DOE Contract Number:
- FG02-88ER13974
- OSTI ID:
- 834672
- Journal Information:
- Fluid Phase Equilibria, Journal Name: Fluid Phase Equilibria Journal Issue: 117 Vol. 150; ISSN 0378-3812; ISSN FPEQDT
- Country of Publication:
- United States
- Language:
- English
Similar Records
New sorbents for olefin/paraffin separations by adsorption via {pi}-complexation
New adsorbents for olefin-paraffin and acetylene separations by {pi}-complexation
Ethylene adsorption and decomposition on Pt(210): Chemistry of. pi. -bound ethylene
Journal Article
·
Tue Feb 28 23:00:00 EST 1995
· AIChE Journal
·
OSTI ID:43120
New adsorbents for olefin-paraffin and acetylene separations by {pi}-complexation
Conference
·
Tue Oct 01 00:00:00 EDT 1996
·
OSTI ID:370539
Ethylene adsorption and decomposition on Pt(210): Chemistry of. pi. -bound ethylene
Journal Article
·
Thu Jun 28 00:00:00 EDT 1990
· Journal of Physical Chemistry; (USA)
·
OSTI ID:6379162