Carbon Dioxide Sequestration

Biogas upgrading from fermentation processes requires the sequestration of CO2 before biomethane can be fed into gas pipeline system. The reversible chemical absorption by amine-based solvents is one of the most efficient methods for CO2 removal and its further technological use. The thermodynamics of liquid-liquid amine-solvent equilibria at various molar fractions of amines were investigated by detailed atomistic molecular dynamics simulations of aqueous solutions of prototypes of novel alkanolamines.

The simulations revealed a strikingly different behavior of alkanolamines in aqueous solution depending of the nature of the amine and the molar concentration.

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