ie6b02417_si_001.pdf (410.58 kB)
Experimental and Theoretical Thermodynamic Study of Distillable Ionic Liquid 1,5-Diazabicyclo[4.3.0]non-5-enium Acetate
journal contribution
posted on 2016-08-18, 00:00 authored by Alexandr Ostonen, Justine Bervas, Petri Uusi-Kyyny, Ville Alopaeus, Dzmitry
H. Zaitsau, Vladimir N. Emel’yanenko, Christoph Schick, Alistair W. T. King, Jussi Helminen, Ilkka Kilpeläinen, Artashes A. Khachatrian, Mikhail A. Varfolomeev, Sergey P. VerevkinA thermochemical
study of the protic ionic liquid 1,5-diazabicyclo[4.3.0]non-5-enium
acetate ([DBNH][OAc]), a prospective cellulose solvent considered
for the Ioncell-F process, was carried out. The heat capacities of
1,5-diazabicyclo[4.3.0]non-5-ene (DBN) and [DBNH][OAc] were measured
by differential scanning calorimetry (DSC) at 223–323 and 273–373
K temperature ranges, respectively. The enthalpies of fusion and synthesis
reaction of [DBNH][OAc] were measured by DSC and reaction calorimetry,
respectively. The gas-, liquid-, and solid-phase enthalpies of formation
of [DBNH][OAc] and DBN were determined using calorimetric and computational
methods. The enthalpy of vaporization of [DBNH][OAc] was estimated
from the formation enthalpies. The activity coefficients at infinite
dilution of 17 and the enthalpies of solution at infinite dilution
of 25 organic solutes in [DBNH][OAc] were measured by gas chromatography
and solution calorimetry methods, respectively. The obtained data
will be used in the design and optimization of the Ioncell-F process.