Small-angle neutron scattering experiments, supported by molecular dynamics simulations, have been performed on a range of compositions of the [C₂mim]_1−x[C₁₂mim]_x[Tf₂N] ionic liquid mixture system. Isotopic contrast variation, through selective deuteration of both cations, has been used to assist in fitting the data to different scattering models. These data, and subsequent fitting, show that the structure of the ionic liquid mixtures changes substantially as a function of composition. Mixtures where x < 0.32 are dominated by aggregates of amphiphilic [C₁₂mim]⁺ ions in the relatively polar [C₂mim][Tf₂N] solvent. Compositions where x > 0.32 can be described as bicontinuous, containing networks of both polar and non-polar domains, where the C12 chains of the [C₁₂mim]⁺ ions percolate through the system to form a continuous non-polar sub-phase. Temperature-dependent scattering experiments suggest that there is relatively little change in bulk structure in these liquids between 20 and 60 °C. The presence of water, however, does influence some aspects of the liquid structure in a composition that is rich in [C₂mim][Tf₂N] (where x = 0.24).

中文翻译：

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利用小角中子散射探索离子液体混合物的体相结构

在分子动力学模拟的支持下，对[C ₂ mim] _{1- x} [C ₁₂ mim] _x [Tf ₂ N]离子液体混合物系统的一系列组成进行了小角中子散射实验。通过对两种阳离子进行选择性氘化，同位素对比变化已被用于帮助将数据拟合到不同的散射模型中。这些数据以及随后的拟合表明，离子液体混合物的结构基本上随组成而变化。x <0.32的混合物由相对极性[C ₂ ]中的两亲性[C ₁₂ mim] ⁺离子聚集形成mim] [Tf ₂ N]溶剂。x > 0.32的组合物可以描述为双连续的，包含极性和非极性域的网络，其中[C ₁₂ mim] ⁺离子的C12链渗透穿过系统，形成连续的非极性子相。与温度有关的散射实验表明，在20至60°C之间，这些液体的整体结构几乎没有变化。但是，水的存在确实会影响富含[C ₂ mim] [Tf ₂ N]（其中x = 0.24）的组合物中液体结构的某些方面。