Thermodynamics of room-temperature ionic liquids: Modelling and experiment
Tutor / director / evaluatorJohannes Kiefer
Document typeMaster thesis (pre-Bologna period)
Rights accessOpen Access
The thermodynamic behaviour of three different binary mixtures of ionic liquids (ILs) and solvents are studied using the UniSim program. Although currently there is a lot of thermodynamical and structural data available, which has been extracted from different experimental techniques, such as infrared or NMR spectroscopy, not all of them are useful for simulation in programs such UniSim. Such simulation is useful in order to use the data obtained in the laboratory and move them up to industrial scale. In ILs field, this is one of most major objective, in order to reduce costs in processes where ILs are involved. Critical properties and some geometric parameters are used in order to simulate IL behaviour. To analyse the results obtained, excess molar properties are represented as functions of IL concentration and compared to experimental results. Concerning the representation of excess molar volume, each mixture represented fits at least qualitatively, in a certain range of concentrations, the experimental data. While [bmim][BF4] with water mixture presents a positive excess molar volume behaviour, [bmim][PF6] with ethyl acetate and [emim][EtSO4] with ethanol present a negative excess molar volume behaviour. However, concerning excess molar enthalpy and entropy, representing these properties properly was found not possible with the data introduced.