Almantariotis D, Pensado A S, Gunaratne H Q N, Hardacre C, Pádua A A H, Coxam J-Y, Costa Gomes M F
Institut de Chimie de Clermont-Ferrand, CNRS and Université Blaise Pascal , 24 Avenue Blaise Pascal, 63178 Aubiere, France.
QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University of Belfast , Stranmillis Road, Belfast BT9 5AG, U.K.
J Phys Chem B. 2017 Jan 19;121(2):426-436. doi: 10.1021/acs.jpcb.6b10301. Epub 2017 Jan 6.
The effect on gas solubilities of adding partially fluorinated alkyl side chains either on imidazolium-based cations or on bis(perfluoroalkylsulfonyl)amide anions was studied. The aim was to gain knowledge of the mechanisms of dissolution of gases in fluorinated ionic liquids and, if possible, to improve physical absorption of carbon dioxide in ionic liquids. We have determined experimentally, in the temperature range of 298-343 K and at pressures close to atmospheric pressure, the solubility and thermodynamics of solvation of carbon dioxide, ethane, and nitrogen in the ionic liquids 1-octyl-3-methylimidazolium bis[trifluoromethylsulfonyl]amide ([Cmim][NTf]), 1-octyl-3-methylimidazolium bis[pentafluoroethylsulfonyl]amide ([Cmim][BETI]), 1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-3-methylimidazolium bis[trifluoromethylsulfonyl]amide ([CHFmim][NTf]), and 1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-3-methylimidazolium bis[pentafluoroethylsulfonyl]amide ([CHFmim][BETI]). Ionic liquids with partial fluorination on the cation were found to exhibit higher carbon dioxide and nitrogen mole fraction solubilities but lower ethane solubilities, compared to those of their hydrogenated counterparts. Molecular simulation provided insights about the mechanisms of solvation of the different gases in the ionic liquids.
研究了在咪唑基阳离子或双（全氟烷基磺酰）酰胺阴离子上添加部分氟化烷基侧链对气体溶解度的影响。目的是了解气体在氟化离子液体中的溶解机制，并在可能的情况下改善离子液体中二氧化碳的物理吸收。我们在298 - 343 K的温度范围内和接近大气压的压力下，通过实验测定了二氧化碳、乙烷和氮气在离子液体1 - 辛基 - 3 - 甲基咪唑双[三氟甲基磺酰]酰胺（[Cmim][NTf]）、1 - 辛基 - 3 - 甲基咪唑双[五氟乙基磺酰]酰胺（[Cmim][BETI]）、1 - （3,3,4,4,5,5,6,6,7,7,8,8,8 - 十三氟辛基）- 3 - 甲基咪唑双[三氟甲基磺酰]酰胺（[CHFmim][NTf]）和1 - （3,3,4,4,5,5,6,6,7,7,8,8,8 - 十三氟辛基）- 3 - 甲基咪唑双[五氟乙基磺酰]酰胺（[CHFmim][BETI]）中的溶解度和溶剂化热力学。与氢化的对应物相比，发现阳离子上具有部分氟化的离子液体表现出更高的二氧化碳和氮摩尔分数溶解度，但乙烷溶解度较低。分子模拟提供了关于不同气体在离子液体中溶剂化机制的见解。
