We have over 12,000 students, from over 100 countries, within one of the safest campuses in the UK


97% of Lancaster students go into work or further study within six months of graduating

Home > Research > Publications & Outputs > A detailed thermodynamic analysis of [C(4)mim][...
View graph of relations

« Back

A detailed thermodynamic analysis of [C(4)mim][BF4] plus water as a case study to model ionic liquid aqueous solutions

Research output: Contribution to journalJournal article


<mark>Journal publication date</mark>2004
<mark>Journal</mark>Green Chemistry
Number of pages13
<mark>Original language</mark>English


Since determining experimentally a wide variety of thermophysical properties - even for a very small portion of the already known room temperature ionic liquids ( and their mixtures and solutions) - is an impossible goal, it is imperative that reliable predictive methods be developed. In turn, these methods might offer us clues to understanding the underlying ion - ion and ion - molecule interactions. 1-Butyl-3-methylimidazolium tetrafluoroborate, one of the most thoroughly investigated ionic liquids, together with water, the greenest of the solvents, have been chosen in this work in order to use their mixtures as a case study to model other, greener, ionic liquid aqueous solutions. We focus our attention both on very simple methodologies that permit one to calculate accurately the mixture's molar volumes and heat capacities as well as more sophisticated theories to predict excess properties, pressure and isotope effects in the phase diagrams, and anomalies in some response functions to criticality, with a minimum of information. In regard to experimental work, we have determined: ( a) densities as a function of temperature (278.15 <T/ K <333.15), pressure ( 1 <p/bar <600), and composition (0 <x(IL) <1), thus also excess molar volumes; (b) heat capacities and excess molar enthalpies as a function of temperature ( 278.15 <T/ K <333.15) and composition ( 0 <xIL <1); and ( c) liquid - liquid phase diagrams and their pressure ( 1 <p/ bar <700) and isotopic (H2O/D2O) dependences. The evolution of some of the aforementioned properties in their approach to the critical region has deserved particular attention.