Dougassa Yvon Rodrigue, Jacquemin Johan, El Ouatani Loubna, Tessier Cécile, Anouti Mérièm
Laboratoire PCMB (EA 4244), Université François Rabelais , Parc de Grandmont, 37200 Tours, France.
J Phys Chem B. 2014 Apr 10;118(14):3973-80. doi: 10.1021/jp500063c. Epub 2014 Mar 31.
In this paper, we have reported the CO2 solubility in different pure alkyl carbonate solvents (EC, DMC, EMC, DEC) and their binary mixtures as EC/DMC, EC/EMC, and EC/DEC and for electrolytes [solvent + lithium salt] LiX (X = LiPF6, LiTFSI, or LiFAP) as a function of the temperature and salt concentration. To understand the parameters that influence the structure of the solvents and their ability to dissolve CO2, through the addition of a salt, we first analyzed the viscosities of EC/DMC + LiX mixtures by means of a modified Jones-Dole equation. The results were discussed considering the order or disorder introduced by the salt into the solvent organization and ion solvation sphere by calculating the effective solute ion radius, rs. On the basis of these results, the analysis of the CO2 solubility variations with the salt addition was then evaluated and discussed by determining specific ion parameters Hi by using the Setchenov coefficients in solution. This study showed that the CO2 solubility has been affected by the shape, charge density, and size of the ions, which influence the structuring of the solvents through the addition of a salt and the type of solvation of the ions.
在本文中，我们报道了二氧化碳在不同的纯碳酸烷基酯溶剂（碳酸乙烯酯、碳酸二甲酯、碳酸甲乙酯、碳酸二乙酯）及其二元混合物（如碳酸乙烯酯/碳酸二甲酯、碳酸乙烯酯/碳酸甲乙酯和碳酸乙烯酯/碳酸二乙酯）中的溶解度，以及在电解质[溶剂+锂盐]LiX（X = 六氟磷酸锂、双三氟甲烷磺酰亚胺锂或氟代双草酸硼酸锂）中的溶解度随温度和盐浓度的变化。为了理解影响溶剂结构及其溶解二氧化碳能力的参数，通过添加盐，我们首先利用修正的琼斯-多尔方程分析了碳酸乙烯酯/碳酸二甲酯+LiX混合物的粘度。通过计算有效溶质离子半径rs，考虑盐引入溶剂结构和离子溶剂化球中的有序或无序情况，对结果进行了讨论。基于这些结果，通过使用溶液中的谢琴诺夫系数确定特定离子参数Hi，进而评估和讨论了添加盐后二氧化碳溶解度的变化。这项研究表明，二氧化碳的溶解度受到离子的形状、电荷密度和大小的影响，这些因素通过添加盐影响溶剂的结构以及离子的溶剂化类型。
