Understanding Carbamate Formation Reaction Thermochemistry of Amino Acids as Solvents for Postcombustion CO 2 Capture

The carbamate stability constant for a data set of 10 amino acids, having potential for being postcombustion CO capture (PCC) solvents, has been calculated using various implicit and explicit solvation shell models. This work also includes an extensive study of gas-phase free energy and enthalpy for...

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Veröffentlicht in:The journal of physical chemistry. B 2019-10, Vol.123 (40), p.8433-8447
Hauptverfasser: Gupta, Mayuri, Svendsen, Hallvard F
Format: Artikel
Sprache:eng
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