Ab initio studies of carbon dioxide affinity to carbon compounds and minerals
| Autor: | Jacek A. Majewski, Mateusz Wlazło, Alexandra Siklitskaya |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
Quantum chemical
chemistry.chemical_classification Condensed Matter - Materials Science Inorganic chemistry Ab initio chemistry.chemical_element Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences 02 engineering and technology engineering.material 021001 nanoscience & nanotechnology 01 natural sciences chemistry.chemical_compound Adsorption chemistry 0103 physical sciences Illite Carbon dioxide engineering Compounds of carbon Periclase 010306 general physics 0210 nano-technology Carbon |
| Popis: | We have performed quantum chemical computational studies to determine carbon dioxide affinity to carbon compounds and minerals, which could be present in shales. These studies shed light on the microscopic mechanisms of the possible carbon oxide sequestration processes. Our studies reveal that the carbon oxide can be adsorbed to various forms of carbon structures and also minerals such as periclase or illite. We find out that the strongest affinity of carbon oxide towards carbon structures occurs when the carbon structures exhibit $sp^3$ bonds. 7 pages, 4 figures; European Geosciences Union General Assembly 2017, submitted to Energy Procedia |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|