Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - A detailed thermodynamic analysis of [C(4)mim][BF4] plus water as a case study to model ionic liquid aqueous solutions
AU - Rebelo, LPN
AU - Najdanovic-Visak, Vesna
AU - Visak, Zoren P.
AU - da Ponte, MN
AU - Szydlowski, J
AU - Cerdeirina, CA
AU - Troncoso, J
AU - Romani, L
AU - Esperanca, JMSS
AU - Guedes, HJR
AU - de Sousa, HC
PY - 2004
Y1 - 2004
N2 - 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
AB - 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
KW - SOLVENTS
KW - PHASE-BEHAVIOR
KW - MIXTURES
KW - HEAT-CAPACITY
KW - ISOTOPE
KW - 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE
KW - EQUILIBRIA
KW - CROSSOVER
KW - 1-N-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE
KW - TEMPERATURE
U2 - 10.1039/b400374h
DO - 10.1039/b400374h
M3 - Journal article
VL - 6
SP - 369
EP - 381
JO - Green Chemistry
JF - Green Chemistry
SN - 1463-9262
IS - 8
ER -