论文标题
在二氧化碳基于二氧化碳和基于磷的离子液体上捕获二氧化碳。空间障碍和过渡状态的作用
On the Carbon Dioxide Capture by Quaternary Ammonium-Based and Phosphonium-Based Ionic Liquids. The Role of Steric Hindrances and Transition States
论文作者
论文摘要
如今，全球变暖被视为一个急剧的环境问题。地球大气中的二氧化碳（CO 2）浓度与行星表面的平均温度有关。碳捕获和储存是旨在改善生态学的重要技术努力。本工作调查了负责含有抗逆性杂环阴离子2-氰基吡啶的铵和磷离子液体CO 2化学吸收的反应路径。我们表明，每摩尔的气体清除剂的Co 2的两摩尔可以通过这种离子液体在理论上固定。阳离子和阴离子都参与化学吸附。相应的标准焓中等为负。所有涉及基于磷的阳离子的反应的障碍相对较小，有利于所考虑的吸附剂的实际应用。由于四烷基铵的固有不稳定，基于铵的阳离子的性能不太有利。仔细表征了反应机理中磷的作用。报道的结果促进了对第四纪铵和基于磷的2-丙吡咯烷酮的杰出CO 2吸附性能的基本理解。
Global warming is seen as a drastic environmental problem nowadays. Carbon dioxide (CO 2 ) concentration in the Earth's atmosphere is linked to the average temperature on the surface of the planet. Carbon capture and storage is an important technological endeavor aiming to improve the ecology. The present work investigates reaction paths that are responsible for CO 2 chemisorption by the ammonium- and phosphonium-based ionic liquids containing an aprotic heterocyclic anion 2-cyanopyrrolidine. We show that two moles of CO 2 per one mole of the gas scavenger can be theoretically fixed by such ionic liquids. Both the cation and anion participate in the chemisorption. The corresponding standard enthalpies are moderately negative. The barriers of all reactions involving the phosphonium-based cation are relatively small and favor practical applications of the considered sorbents. The performance of the ammonium-based cation is less favorable due to the inherent instability of the tetraalkylammonium ylide. The role is phosphonium ylide in the mechanism of the reaction is carefully characterized. The reported results foster a fundamental understanding of the outstanding CO 2 sorption performance of the quaternary ammonium and phosphonium-based 2-cyanopyrrolidines.
