CO2 absorption into aqueous solutions of monoethanolamine, piperazine and their blends: Quantum mechanics and molecular dynamics studies

The molecular dynamics results shows that the presence of low concentration of PZ in MEA aqueous solution enhances the CO2 diffusivity and solubility in a 30 wt% aqueous amine solution. Consequently, PZ activated MEA aqueous solution can be used as an efficient amine solvent for CO2 absorption.