Computational Study of CO2 Capture by Metallic Nanoparticles in Diethylenetriamine Solution
Marcus Vinícius F. Rodrigues, Lucas Lima Bezerra, Leonardo Paes da Silva, Norberto de Kássio Vieira Monteiro · 2026
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Description
Marcus Vinícius F. Rodrigues and three colleagues simulate, atom by atom, whether noble metal nanoparticles dissolved in an amine liquid can help capture carbon dioxide. Rising CO2 from human activity drives climate disruption, and capture technology needs better materials. Their virtual systems paired platinum or palladium particles with the amine DETA, water, and CO2. Quantum calculations set up the molecules, and molecular dynamics then watched them interact, with a battery of stability and attraction measures.
The platinum system won on nearly every measure: it held its shape longest, showed the deepest interaction energy, and kept CO2 close with strong, stable contacts. The palladium version trailed in the same analyses. Because the whole study is computational, the authors present the ranking as a design lead rather than a proven device. Their next-step suggestion is a practical capture structure built around platinum particles in this amine.
Catalog record
| CREATOR | Marcus Vinícius F. Rodrigues, Lucas Lima Bezerra, Leonardo Paes da Silva, Norberto de Kássio Vieira Monteiro |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 19 KB |
| LICENSE | https://creativecommons.org/licenses/by/4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |