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SAGE-Amine: Generative Amine design with multi-property optimization for efficient CO2 capture

Efficient CO2 capture is vital for mitigating climate change, with amine-based solvents being widely used due to their strong reactivity with CO2. However, optimizing key properties such as basicity, viscosity, and absorption capacity remains challenging, as traditional methods rely on labor-intensi...

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Hoofdauteurs: Hocheol Lim, Hyein Cho, Jeonghoon Kim, Kyoung Tai No
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: Elsevier 2025-09-01
Reeks:Carbon Capture Science & Technology
Onderwerpen:
Material discovery
De novo molecular design
Quantitative structure-property relationship
Solvent design
Amine design
Online toegang:http://www.sciencedirect.com/science/article/pii/S2772656825000867
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