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首页> 外文会议>The Thirteenth International Symposium on Molten Salts was held at the Centennial Celebration and 201st Meeting of the Electrochemical Society May 12-17, 2002 Philadelphia, Pennsylvania >THE MOLARITIES OF IONIC LIQUID SPECIES ? DENSITIES ARE NOT BORING
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THE MOLARITIES OF IONIC LIQUID SPECIES ? DENSITIES ARE NOT BORING

机译：离子液体物种的厌恶性？密度不枯燥

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In the course of studying ionic liquids, it is customary to obtain density data, either for simple practical needs or for use with other physical measurements such as the determination of solute concentrations. Interest in molar volumes and their inverse, molar concentrations, has been minimal. We have assembled density data for a wide range of ionic liquids, including molten single and mixed alkali metal salts and ambient temperature chloroaluminate liquids. It is simple to calculate the molarities of the ions present in most cases. We observe a range from ～35 M for Li~+ and Cl~- in liquid LiCl to ～1.5 M for the ions of a particular phosphonium salt with values of 3 ― 6 M for a selection of chloroaluminate liquids. Within chloroaluminate systems, the anion concentrations are determined (a) by the AlCl_3 mole fraction but also (b) by the density which varies with the cation. Thus if the anion is a reactant, its reactivity should depend on the complete constitution of the liquid. Liquid water has a molarity of-55 but aqueous solutions can be prepared containing concentrations of ions within the 1.5 to 35 M span. In the ionic liquids, have we simply substituted space for water compared to the aqueous solutions? Molecular orbital calculations were performed for constituent ions of liquids to estimate close-packed volumes. For simple salts these values can be compared to the lattice parameters from X-ray studies of solids. In all cases, ionic liquids appear to contain substantial (～40%) free volume. This approach offers the possibility of designing an ionic liquid of appropriate density and species concentrations, although non-ionic interactions such as H-bonding need to be accounted for in certain systems.
机译：在研究离子液体的过程中，通常出于简单的实际需要或与其他物理测量（例如确定溶质浓度）一起使用而获得密度数据。对摩尔体积及其倒数摩尔浓度的兴趣很小。我们已经收集了各种离子液体的密度数据，包括熔融的单一和混合碱金属盐以及环境温度的氯铝酸盐液体。在大多数情况下，计算存在的离子的摩尔浓度很简单。我们观察到，液态LiCl中的Li〜+和Cl〜-约为35 M，特定磷鎓盐的离子约为1.5 M，选择氯铝酸盐液体时约为3 -6M。在氯铝酸盐体系中，阴离子浓度由（a）AlCl_3摩尔分数决定，但（b）由随阳离子变化的密度决定。因此，如果阴离子是反应物，则其反应性应取决于液体的完全组成。液态水的摩尔浓度为-55，但可以制备含浓度范围为1.5至35 M的离子的水溶液。在离子液体中，与水溶液相比，我们是否简单地用水代替了空间？对液体的组成离子进行了分子轨道计算，以估计紧密堆积的体积。对于简单的盐，可以将这些值与来自固体X射线研究的晶格参数进行比较。在所有情况下，离子液体似乎都具有大量（〜40％）的自由体积。尽管在某些系统中需要考虑诸如H键之类的非离子相互作用，但这种方法提供了设计适当密度和物种浓度的离子液体的可能性。

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