Hybrid Deep Eutectic Solvents with Flexible Hydrogen-Bonded Supramolecular Networks for Highly Efficient Uptake of NH3
Hybrid Deep Eutectic Solvents with Flexible Hydrogen-Bonded Supramolecular Networks for Highly Efficient Uptake of NH3
复制标题
具有柔性氢键超分子网络的混合深度共晶溶剂，可高效吸收 NH3
DOI：
10.1002/cssc.201701135
复制
发表时间：
2017-09-11
期刊：
影响因子：
8.4
通讯作者：
Ren, Qilong
中科院分区：
文献类型：
--
作者：
Li, Yuhui;Ali, Mohammad Chand;Ren, Qilong
严重的环境问题导致了对溶剂有效吸收NH3的巨大需求。然而，传统的水性吸收剂具有许多缺点，并且使用离子液体的努力取得了有限的成功。一种具有柔性氢键超分子网络结构的混合型深共熔溶剂（DES）具有优异的NH3吸收能力和上级脱附再生性能，沿着优异的NH3/CO2选择性和环保价值。通过分子动力学模拟和光谱分析阐明，在混合DES中的丰富的氢键位点结合NH3分子的每个原子，并实现强的物理可逆溶剂化，而混合组分之间的多重相互作用创建一个灵活的氢键超分子网络，并允许溶剂不破坏吸收，以确保溶剂的充分参与和过程稳定性。在313 K和101 kPa下，氯化胆碱/间苯二酚/甘油（1：3：5）的混合DES对NH3的质量溶解度达到0.13gg（-1），高于文献报道的离子液体和普通DES。此外，在10次吸收-解吸循环后，性能保持不变，并且DES可以容易地再生。
Serious environmental concerns have led to a great demand for efficient uptake of NH3 by solvents. However, traditional aqueous absorbents have many shortcomings and efforts to use ionic liquids have met with limited success. A hybrid deep eutectic solvents (DESs) designed with a flexible hydrogen-bonded supramolecular network exhibits both exceptional NH3 uptake capacity and superior desorption-regeneration performance, along with superb NH3/CO2 selectivity and environmental merit. Elucidated by molecular dynamic simulations and spectroscopic analysis, the abundant hydrogen-bonding sites in the hybrid DESs bind every atom of the NH3 molecule and enable strong physical reversible solvation, whereas the multiple interactions among the hybrid components create a flexible hydrogen-bonded supramolecular network and allow for solvent-unbreaking absorption to ensure the full participation of the solvent and process stability. A mass solubility of NH3 up to 0.13gg(-1) was achieved at 313K and 101kPa by the hybrid DES choline chloride/resorcinol/glycerol (1:3:5), which is higher than all reported ionic liquids and ordinary DESs. Moreover, the performance remained the same after ten absorption-desorption cycles and the DESs could be easily regenerated.