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Computational screening methodology identifies effective solvents for CO₂ capture.

ABSTRACT: Carbon capture and storage technologies are projected to increasingly contribute to cleaner energy transitions by significantly reducing CO₂ emissions from fossil fuel-driven power and industrial plants. The industry standard technology for CO₂ capture is chemical absorption with aqueous alkanolamines, which are often being mixed with an activator, piperazine, to increase the overall CO₂ absorption rate. Inefficiency of the process due to the parasitic energy required for thermal regeneration of the solvent drives the search for new tertiary amines with better kinetics. Improving the efficiency of experimental screening using computational tools is challenging due to the complex nature of chemical absorption. We have developed a novel computational approach

SUBMITTER: Orlov AA

PROVIDER: S-EPMC9814075 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature

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Computational screening methodology identifies effective solvents for CO₂ capture.

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Dataset Information

Computational screening methodology identifies effective solvents for CO2 capture.

OmicsDI is part of the ELIXIR infrastructure

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Computational screening methodology identifies effective solvents for CO₂ capture.