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CO2 absorption in amino acid-based ionic liquids: Experimental and theoretical studies
Fluid Phase Equilibria ( IF 2.6 ) Pub Date : 2021-07-30 , DOI: 10.1016/j.fluid.2021.113185
Narmin Noorani 1 , Abbas Mehrdad 1 , Iraj Ahadzadeh 1
Affiliation  

In this study, eight amino acid-based ionic liquids (AAILs) with 1-butyl-4-methyl pyridinium cation ([B4MPyr][AA]s) were synthesized and characterized. The CO2 absorption capacity of AAILs was studied using quartz crystal microbalance (QCM) at pressures up to 6 bars and at temperature 298.15 K. Based on the “deactivated model”, the reaction equilibrium constant and Henry's law constant were calculated to evaluate the efficiency of AAILs for CO2 absorption. The results indicate that CO2 absorption capacities are in the order of [Arg] > [Lys] > [His] > [Tyr] > [Gly] > [Val] > [Ala] > [Pro]. The accessibility of more available amine groups in AAIL with arginate anion is the main factor for the high CO2 absorption capacity. Also, the chemical absorption of CO2 through carbamate formation was corroborated by spectroscopy of FT-IR. Besides, the density functional theory (DFT) method was also employed to confirm the adsorption energy of CO2 onto AAILs with various anions.



中文翻译:

基于氨基酸的离子液体中的 CO2 吸收:实验和理论研究

在本研究中,合成并表征了八种具有 1-丁基-4-甲基吡啶鎓阳离子 ([B 4 MPyr][AA]) 的氨基酸离子液体 (AAIL) 。使用石英晶体微量天平 (QCM) 在高达 6 bar 的压力和 298.15 K 的温度下研究 AAILs的 CO 2吸收能力。基于“失活模型”,计算反应平衡常数和亨利定律常数以评估效率用于 CO 2吸收的 AAIL 。结果表明CO 2吸收能力的顺序为[Arg] > [Lys] > [His] > [Tyr] > [Gly] > [Val] > [Ala] > [Pro]。AAIL 中更多可用胺基团与精氨酸阴离子的可及性是高 CO 2的主要因素吸收能力。此外,通过 FT-IR 光谱证实了通过氨基甲酸酯形成对 CO 2的化学吸收。此外,还采用密度泛函理论(DFT)方法来确认CO 2在具有各种阴离子的AAILs上的吸附能。

更新日期:2021-08-01
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