| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5386962 | Chemical Physics Letters | 2009 | 6 Pages |
Abstract
Isotope separation factors are calculated for T2/H2 and D2/H2 mixtures in various organic frameworks using path integral Monte Carlo simulations. The results are in good agreement with recent experimental data and are used to clarify the mechanisms responsible for the isotopic selectivity in these materials.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Giovanni Garberoglio,