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- W3036375090 abstract "An aqueous solution of monoethanol amine (MEA) has been utilized in an industrial process of CO₂ absorption. The chemical reaction between CO₂ and MEA, which is employed in the process, consists of two steps. After the formation of the MEA–CO₂ complex (“capture”), a proton transfers from the complex to give a final product. In the present study, the overall mechanism of the reaction is discussed, especially focusing on the proton transfer step. Using RISM-SCF-SEDD, a hybrid method of electronic structure theory and statistical mechanics for molecular liquid, we clarified that the role of MEA as a base is crucial in the proton transfer step." @default.
- W3036375090 created "2020-06-25" @default.
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- W3036375090 date "2012-01-01" @default.
- W3036375090 modified "2023-09-28" @default.
- W3036375090 title "Proton Transfer Step in the Carbon Dioxide Capture by Monoethanol Amine: A Theoretical Study at the Molecular Level B" @default.
- W3036375090 hasPublicationYear "2012" @default.
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