An elegant access to formation and vaporization enthalpies of ionic liquids by indirect DSC experiment and "in silico" calculations.
We used DSC for determination of the reaction enthalpy of the synthesis of the ionic liquid [C(4)mim][Cl]. A combination of DSC and quantum chemical calculations presents a new, indirect way to study thermodynamics of ionic liquids. The new procedure was validated with two direct experimental measurements and MD simulations.
Department of Physical Chemistry, University of Rostock, Dr-Lorenz-Weg. 1, 18059 Rostock, Germany. sergey.verevkin@uni-rostock.de
Sergey P
SP
Verevkin
Dzmitry H
DH
Zaitsau
Vladimir N
VN
Emel'yanenko
Christoph
C
Schick
Saivenkataraman
S
Jayaraman
Edward J
EJ
Maginn