TY - JOUR
T1 - Experimental and Theoretical Thermodynamic Study of Distillable Ionic Liquid 1,5-Diazabicyclo[4.3.0]non-5-enium Acetate
AU - Ostonen, Alexandr
AU - Bervas, Justine
AU - Uusi-Kyyny, Petri
AU - Alopaeus, Ville
AU - Zaitsau, Dzmitry H.
AU - Emel'yanenko, Vladimir N.
AU - Schick, Christoph
AU - King, Alistair W.T.
AU - Helminen, Jussi
AU - Kilpeläinen, Ilkka
AU - Khachatrian, Artashes A.
AU - Varfolomeev, Mikhail A.
AU - Verevkin, Sergey P.
PY - 2016/10/5
Y1 - 2016/10/5
N2 - A thermochemical study of the protic ionic liquid 1,5diazabicyclo [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.
AB - A thermochemical study of the protic ionic liquid 1,5diazabicyclo [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.
KW - 116 Chemical sciences
U2 - 10.1021/acs.iecr.6b02417
DO - 10.1021/acs.iecr.6b02417
M3 - Article
SN - 0888-5885
VL - 55
SP - 10445
EP - 10454
JO - Industrial & Engineering Chemistry Research
JF - Industrial & Engineering Chemistry Research
IS - 39
ER -