CAJ | 학술논문

氨基酸盐是一种很具潜力的 CO2捕集分离溶剂，相对于乙醇胺等有机胺类吸收剂，具有低挥发性、抗氧化降解等优点。文中采用停流光谱-pH指示剂技术研究氨基乙酸与CO2的反应行为，表明其中性形式的反应活性远低于碱性形式。M062X/6-31G(2df,p)级别的密度泛函理论的计算表明氨基乙酸中性形式与 CO2的反应能垒较高，其两性离子产物的热力学不稳定性也导致反应活性降低。
안기산염시일충흔구잠력적 CO2포집분리용제，상대우을순알등유궤알류흡수제，구유저휘발성、항양화강해등우점。문중채용정류광보-pH지시제기술연구안기을산여CO2적반응행위，표명기중성형식적반응활성원저우감성형식。M062X/6-31G(2df,p)급별적밀도범함이론적계산표명안기을산중성형식여 CO2적반응능루교고，기량성리자산물적열역학불은정성야도치반응활성강저。
Amino acids are potentially attractive solvents for carbon dioxide capture from coal-based power stations, and present certain benefits over amines in CO2 separation systems, such as low toxicity, low volatility and high resistance to oxidative degradation. This paper carried out a study of CO2 reacting with glycine in aqueous media using stopped-flow pH indicator technique. The results show that the reactivity of neutral form is much less than that of base form. Density functional theory calculations at the M062X/6-31G(2df,p) level of theory demonstrate that reactivity of the neutral form is diminished by the thermodynamic instability of the zwitterion reaction product, as opposed to any raising of the intrinsic reaction barrier.