Quantitative analysis method for absorption mechanism and energy consumption of CO2 capture by amino acid ionic liquids

Amino acid ionic liquids (AAILs) are attractive candidates for CO2 capture due to their high solubility for CO2. Quantitatively analyzing the interaction of amino groups in AAILs with CO2 and evaluating the energy consumption of CO2 capture is critical to the molecular design of ideal AAILs. In this work, a thermodynamic model based on the cubic plus association equation of state was proposed to calculate the contribution from the chemical reactions between various stoichiometric ratios of CO2 and AAIL (Nm:n, m:n is stoichiometric ratio) on CO2 solubility. The results show that the larger contribution to the CO2 solubility in [Glu], [Tyr] and [Gln]-IL with strong polar groups is derived from association scheme N1:2, while the N1:1 association interaction is the dominant contribution of [Gly], [Ala], [Val] and [Pro]-IL with hydrogen atom or short alkyl side chains, and [VBIm]-IL with multiple amino groups. The N2:1 association interaction is primary between CO2 and [Cho][His] or [Cho][Arg]. Besides, the contributions of these association effects are greater than that of dispersion and repulsion to CO2 solubility. Then, the solvent cyclic capacity and regeneration energy of AAILs in the pressure swing and temperature swing CO2 capture system were estimated. More amino groups result in higher regeneration energy consumption and do not necessarily increase solvent cyclic capacity. Among the studied AAILs, [Cho][Gly] which exhibits high cyclic capacity and low energy consumption has great potential in CO2 capture solvent.