2011-01-122024-05-17https://scholars.lib.ntu.edu.tw/handle/123456789/678569摘要：離子液體具有許多特殊的性質，例如低熔點、大的液相溫度範圍(大於300 K)、高溫安定性、超低揮發性、即不可燃性等，因此離子液體被視為"設計師的溶劑"，可用來取代傳統的有機溶劑。雖然已有許多離子液體的研究，但仍有許多未知待解的問題，例如其在混和溶劑時的解離度。此外，大部分描述離子液體的模型，接忽略帶電粒子的長距離庫倫靜電力，而且也無法在超臨界條件下使用。在此計畫，我們將開發新的模型，針對這些問題提出解決的方法，以期能夠在更廣的溫壓條件下，仍能夠進行離子液體相平衡之預測。<br> Abstract: Ionic liquids (ILs) have gained popularity for their potential as being “designer solvents”, because of their unique properties, such as low melting point, wide liquid range (more than 300 K), stability up to high temperature, negligible vapor pressure, and inflammability. These properties make ILs possible to replace conventional volatile, toxic, and flammable organic solvents. While many works of IL have been done, there are still many questions remain unanswered. For example, the degree of dissociation of IL in the mixture solvent is not generally known. However, the amount of dissociated ions would have a significant impact on the modeling of the solvent properties. In addition, nearly all existing models for IL neglect the long range coulomb interactions, which is important in systems consisting of highly charged species. Furthermore, all the models based on the description of the excess Gibbs free energy (Gex) of the fluid are not applicable in the supercritical region. In this project, we propose to examine these important issues of IL and develop a new model which can be used over a wide range of conditions, including the supercritical region.離子液體相行為活性係數模型ionic liquidsphase behavioractivity coefficient model