Experimental and Theoretical Thermodynamic Study of Distillable Ionic Liquid 1,5-Diazabicyclo[4.3.0]non-5-enium Acetate

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Experimental and Theoretical Thermodynamic Study of Distillable Ionic Liquid 1,5-Diazabicyclo[4.3.0]non-5-enium Acetate. / Ostonen, Alexandr; Bervas, Justine; Uusi-Kyyny, Petri; Alopaeus, Ville; Zaitsau, Dzmitry H.; Emel'Yanenko, Vladimir N.; Schick, Christoph; King, Alistair W T; Helminen, Jussi; Kilpeläinen, Ilkka; Khachatrian, Artashes A.; Varfolomeev, Mikhail A.; Verevkin, Sergey P.

In: Industrial and Engineering Chemistry Research, Vol. 55, No. 39, 05.10.2016, p. 10445-10454.

Research output: Contribution to journalArticleScientificpeer-review

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Ostonen, A, Bervas, J, Uusi-Kyyny, P, Alopaeus, V, Zaitsau, DH, Emel'Yanenko, VN, Schick, C, King, AWT, Helminen, J, Kilpeläinen, I, Khachatrian, AA, Varfolomeev, MA & Verevkin, SP 2016, 'Experimental and Theoretical Thermodynamic Study of Distillable Ionic Liquid 1,5-Diazabicyclo[4.3.0]non-5-enium Acetate' Industrial and Engineering Chemistry Research, vol. 55, no. 39, pp. 10445-10454. https://doi.org/10.1021/acs.iecr.6b02417

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Ostonen, Alexandr ; Bervas, Justine ; Uusi-Kyyny, Petri ; Alopaeus, Ville ; Zaitsau, Dzmitry H. ; Emel'Yanenko, Vladimir N. ; Schick, Christoph ; King, Alistair W T ; Helminen, Jussi ; Kilpeläinen, Ilkka ; Khachatrian, Artashes A. ; Varfolomeev, Mikhail A. ; Verevkin, Sergey P. / Experimental and Theoretical Thermodynamic Study of Distillable Ionic Liquid 1,5-Diazabicyclo[4.3.0]non-5-enium Acetate. In: Industrial and Engineering Chemistry Research. 2016 ; Vol. 55, No. 39. pp. 10445-10454.

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@article{68167597c94d4e7ebde5235f3c59b159,
title = "Experimental and Theoretical Thermodynamic Study of Distillable Ionic Liquid 1,5-Diazabicyclo[4.3.0]non-5-enium Acetate",
abstract = "A 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.",
author = "Alexandr Ostonen and Justine Bervas and Petri Uusi-Kyyny and Ville Alopaeus and Zaitsau, {Dzmitry H.} and Emel'Yanenko, {Vladimir N.} and Christoph Schick and King, {Alistair W T} and Jussi Helminen and Ilkka Kilpel{\"a}inen and Khachatrian, {Artashes A.} and Varfolomeev, {Mikhail A.} and Verevkin, {Sergey P.}",
year = "2016",
month = "10",
day = "5",
doi = "10.1021/acs.iecr.6b02417",
language = "English",
volume = "55",
pages = "10445--10454",
journal = "Industrial and Engineering Chemistry Research",
issn = "0888-5885",
publisher = "AMERICAN CHEMICAL SOCIETY",
number = "39",

}

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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 1,5-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.

AB - A 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.

UR - http://www.scopus.com/inward/record.url?scp=84989911016&partnerID=8YFLogxK

U2 - 10.1021/acs.iecr.6b02417

DO - 10.1021/acs.iecr.6b02417

M3 - Article

VL - 55

SP - 10445

EP - 10454

JO - Industrial and Engineering Chemistry Research

JF - Industrial and Engineering Chemistry Research

SN - 0888-5885

IS - 39

ER -

ID: 9161558