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首页> 外文期刊>RSC Advances >Equilibria and correlation of systems involving 1-hexyl-3-methylpyridinium trifluoromethanesulfonate
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Equilibria and correlation of systems involving 1-hexyl-3-methylpyridinium trifluoromethanesulfonate

机译：均衡和涉及1-己基-3-甲基吡啶三氟甲磺酸盐的系统的相关性

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Ionic liquids are being proposed for the improvement of many refinery-related applications where water and oil coexist. However, the lack of relevant thermodynamic data on equilibrium processes involving water, oil and an ionic liquid is a stumbling block. Phase diagrams of these systems are complex, with many different regions, especially when the ionic liquid is solid at room conditions. This greatly complicates modelling, which is usually neglected or carried out only partially. In this work, for the first time, the simultaneous correlation not only of liquid–liquid and liquid–liquid–liquid but also solid–liquid equilibrium data for ternary systems involving ionic liquids has been carried out. To that end, the ionic liquid 1-hexyl-3-methylpyridinium trifluoromethanesulfonate, with an alkyl chain length that favours nano-segregation, was selected. Phase diagrams with water and different representative oils (octane, toluene and cyclohexane) have been determined at various temperatures and atmospheric pressure. The great capacity of the NRTL model, a powerful tool used in all chemical process simulators, was shown by simultaneously correlating data from all the equilibrium regions. However, adequate equilibrium equations and pivotal strategies were required. Low deviations and a good representation of phase diagrams was achieved. A topological analysis based on the Gibbs common tangent criterion and a stability test allowed validation of the proposed correlation parameters.
机译：正在提出离子液体，以改善许多水和油共存的炼油相关应用。然而，缺乏关于涉及水，油和离子液体的平衡过程的相关热力学数据是尖端。这些系统的相图是复杂的，具有许多不同的区域，特别是当室内液体在室内条件下固体时。这大大复杂化建模，通常被忽视或仅部分地进行。在这项工作中，首次不仅具有液 - 液和液体 - 液体的同时相关性，而且还进行了涉及离子液体的三元系统的固体平衡数据。为此，选择了含有纳米偏析的烷基链长度的离子液体1-己基-3-甲基吡啶鎓三氟甲磺酸盐。用水和不同代表性油（辛烷，甲苯和环己烷）的相图已在各种温度和大气压下确定。 NRTL模型的巨大容量是所有化学处理器模拟器中使用的强大工具，通过同时从所有平衡区域同时关联数据。但是，需要足够的均衡方程和关键策略。实现了低偏差和良好的相图表示。基于GIBBS常见切线标准的拓扑分析和稳定性测试允许验证所提出的相关参数。

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