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 -