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Experimental and theoretical determination of adsorption heats of CO(2) over alkali metal exchanged ferrierites with different Si/Al ratio.
| Content Provider | Semantic Scholar |
|---|---|
| Author | Zukal, Arnošt Pulido, Angeles Gil, Barbara Nachtigall, Petr Bludský, Ota Rubeš, Miroslav Cejka, Jan Jackson |
| Copyright Year | 2010 |
| Abstract | The adsorption of CO(2) in Li-, Na-, and K-FER was investigated by a combination of volumetric adsorption experiments, FTIR spectroscopy, and density functional theory. Experimental isosteric heats of CO(2), Q(st), depend significantly on the cation size, cation concentration, and on the amount of adsorbed CO(2). The differences observed in experimentally determined isosteric heats were interpreted at the molecular level based on good agreement between experimental and calculated characteristics. The highest interaction energies were found for CO(2) adsorbed on so-called "dual cation sites" in which CO(2) is bridged between two alkali metal cations. The formation of CO(2) adsorption complexes on dual cation sites is particularly important on Na-FER and K-FER samples with higher cation concentration. On the contrary, the differences in Q(st) observed for Li-FER samples are due to the changes in the Li(+) coordination with the framework. The DFT/CC calculations show that the dispersion interactions between CO(2) and the zeolites framework are rather large (about -20 kJ mol(-1)). |
| Starting Page | 2653 |
| Ending Page | 2662 |
| Page Count | 10 |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://www.rsc.org/suppdata/cp/c0/c001950j/c001950j.pdf |
| PubMed reference number | 20532422v1 |
| Alternate Webpage(s) | https://doi.org/10.1039/c001950j |
| DOI | 10.1039/c001950j |
| Journal | Physical chemistry chemical physics : PCCP |
| Volume Number | 12 |
| Issue Number | 24 |
| Language | English |
| Access Restriction | Open |
| Subject Keyword | Alkalies Aluminum Cations Dual Heat (physical force) Iron Metals, Alkali Sodium Spectroscopy, Near-Infrared Zeolites kilojoule (kJ) lithium cation |
| Content Type | Text |
| Resource Type | Article |
