Ab Initio Study of CO2 Capture Mechanisms in Aqueous 2-Amino-2-methyl-1-propanol: Electronic and Steric Effects of Methyl Substituents on the Stability of Carbamate
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DOI: 10.1021/acs.iecr.8b06229
Abstract: Ab initio quantum chemical calculations, combined with the SMD solvation model, have been conducted to reveal CO2 absorption mechanisms and the origin of the reduced stability of carbamate in aqueous solution of 2-amino-2-methyl-1-propanol (AMP). The… read more here.
Keywords: amino methyl; methyl; stability; methyl propanol ... See more keywords