New industrial and environmental application of chemical thermodynamics to the development of the chemical processes with multiphase and multicomponent systems

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New industrial and environmental application of chemical thermodynamics to the development of the chemical processes with multiphase and multicomponent systems (en)
Нови индустријски и еколошки аспекти примене хемијске термодинамике на унапређење хемијских процеса са вишефазним и вишекомпонентним системима (sr)
Novi industrijski i ekološki aspekti primene hemijske termodinamike na unapređenje hemijskih procesa sa višefaznim i višekomponentnim sistemima (sr_RS)
Authors

Publications

Experimental densities and derived thermodynamic properties of pure p-cymene, alpha-pinene, limonene and citral under high pressure conditions

Ilić-Pajić, Jovana; Ivaniš, Gorica; Radović, Ivona; Grujić, Aleksandar; Stajić-Trošić, Jasna; Stijepović, Mirko; Kijevčanin, Mirjana

(Academic Press Ltd- Elsevier Science Ltd, London, 2020)

TY  - JOUR
AU  - Ilić-Pajić, Jovana
AU  - Ivaniš, Gorica
AU  - Radović, Ivona
AU  - Grujić, Aleksandar
AU  - Stajić-Trošić, Jasna
AU  - Stijepović, Mirko
AU  - Kijevčanin, Mirjana
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4474
AB  - In order to reduce negative influence of fossil fuels on environment, use of various renewable resources is highly promoted. Terpenes, naturally occurring in plants, can be added to petroleum fuel as its substitute up to a certain share. Thermodynamic properties of a fuel under high pressure and moderate temperature conditions are of significant importance for engine efficiency. This work reports density measurements of pure p-cymene, alpha-pinene, limonene and citral at temperatures (293.15-413.15) K and pressures (0.1-60) MPa, applying an Anton Paar DMA HP measuring cell. Density data were fitted by modified Tammann-Tait equation where the absolute average percentage deviation between measured and calculated densities was about 0.010%. The obtained parameters were used to estimate the isothermal compressibility, the isobaric thermal expansion coefficient, the internal pressure, and the difference between specific heat capacity at constant pressure and at constant volume. For examined compounds, all thermodynamic properties, except the internal pressure, decrease with pressure rise along an isotherm and increase as temperature increases at a constant pressure. The intersection point of isotherms for the isobaric thermal expansion coefficient for pure citral was registered at pressure 47 MPa, while for other analyzed terpenes the intersection point is above 60 MPa, outside the measurements pressure range.
PB  - Academic Press Ltd- Elsevier Science Ltd, London
T2  - Journal of Chemical Thermodynamics
T1  - Experimental densities and derived thermodynamic properties of pure p-cymene, alpha-pinene, limonene and citral under high pressure conditions
VL  - 144
DO  - 10.1016/j.jct.2020.106065
ER  - 
@article{
author = "Ilić-Pajić, Jovana and Ivaniš, Gorica and Radović, Ivona and Grujić, Aleksandar and Stajić-Trošić, Jasna and Stijepović, Mirko and Kijevčanin, Mirjana",
year = "2020",
abstract = "In order to reduce negative influence of fossil fuels on environment, use of various renewable resources is highly promoted. Terpenes, naturally occurring in plants, can be added to petroleum fuel as its substitute up to a certain share. Thermodynamic properties of a fuel under high pressure and moderate temperature conditions are of significant importance for engine efficiency. This work reports density measurements of pure p-cymene, alpha-pinene, limonene and citral at temperatures (293.15-413.15) K and pressures (0.1-60) MPa, applying an Anton Paar DMA HP measuring cell. Density data were fitted by modified Tammann-Tait equation where the absolute average percentage deviation between measured and calculated densities was about 0.010%. The obtained parameters were used to estimate the isothermal compressibility, the isobaric thermal expansion coefficient, the internal pressure, and the difference between specific heat capacity at constant pressure and at constant volume. For examined compounds, all thermodynamic properties, except the internal pressure, decrease with pressure rise along an isotherm and increase as temperature increases at a constant pressure. The intersection point of isotherms for the isobaric thermal expansion coefficient for pure citral was registered at pressure 47 MPa, while for other analyzed terpenes the intersection point is above 60 MPa, outside the measurements pressure range.",
publisher = "Academic Press Ltd- Elsevier Science Ltd, London",
journal = "Journal of Chemical Thermodynamics",
title = "Experimental densities and derived thermodynamic properties of pure p-cymene, alpha-pinene, limonene and citral under high pressure conditions",
volume = "144",
doi = "10.1016/j.jct.2020.106065"
}
Ilić-Pajić, J., Ivaniš, G., Radović, I., Grujić, A., Stajić-Trošić, J., Stijepović, M.,& Kijevčanin, M.. (2020). Experimental densities and derived thermodynamic properties of pure p-cymene, alpha-pinene, limonene and citral under high pressure conditions. in Journal of Chemical Thermodynamics
Academic Press Ltd- Elsevier Science Ltd, London., 144.
https://doi.org/10.1016/j.jct.2020.106065
Ilić-Pajić J, Ivaniš G, Radović I, Grujić A, Stajić-Trošić J, Stijepović M, Kijevčanin M. Experimental densities and derived thermodynamic properties of pure p-cymene, alpha-pinene, limonene and citral under high pressure conditions. in Journal of Chemical Thermodynamics. 2020;144.
doi:10.1016/j.jct.2020.106065 .
Ilić-Pajić, Jovana, Ivaniš, Gorica, Radović, Ivona, Grujić, Aleksandar, Stajić-Trošić, Jasna, Stijepović, Mirko, Kijevčanin, Mirjana, "Experimental densities and derived thermodynamic properties of pure p-cymene, alpha-pinene, limonene and citral under high pressure conditions" in Journal of Chemical Thermodynamics, 144 (2020),
https://doi.org/10.1016/j.jct.2020.106065 . .
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Thermodynamic study of ester diethyl tartrate and its binary systems with iso-alcohols

Majstorović, Divna; Radović, Ivona; Kijevčanin, Mirjana; Živković, Emila

(Elsevier, Amsterdam, 2020)

TY  - JOUR
AU  - Majstorović, Divna
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
AU  - Živković, Emila
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4490
AB  - Densities of pure ester diethyl tartrate and alcohols isobutanol and isopentanol are measured on high pressures up to 60 MPa and temperatures from 293.15 K to 413.15 K, while thermophysical properties for two systems ester + alcohol are obtained on atmospheric pressure and temperatures 288.15-323.15 K. High pressure densities were correlated with Tammann-Tait equation. Experimental data on atmospheric pressure for mixtures were used to determine derived properties, excess molar volume, viscosity and refractive index deviations, which are then correlated with Redlich-Kister polynomial equation. To support the discussion regarding interactions, FF-IR analyses of pure components and mixtures with highest absolute values of excess molar volume were presented. Additionally, viscosity modelling was performed with predictive and correlative models and results were discussed from the point of potential usage of applied models to calculate viscosity of investigated systems.
PB  - Elsevier, Amsterdam
T2  - Fluid Phase Equilibria
T1  - Thermodynamic study of ester diethyl tartrate and its binary systems with iso-alcohols
VL  - 509
DO  - 10.1016/j.fluid.2020.112461
ER  - 
@article{
author = "Majstorović, Divna and Radović, Ivona and Kijevčanin, Mirjana and Živković, Emila",
year = "2020",
abstract = "Densities of pure ester diethyl tartrate and alcohols isobutanol and isopentanol are measured on high pressures up to 60 MPa and temperatures from 293.15 K to 413.15 K, while thermophysical properties for two systems ester + alcohol are obtained on atmospheric pressure and temperatures 288.15-323.15 K. High pressure densities were correlated with Tammann-Tait equation. Experimental data on atmospheric pressure for mixtures were used to determine derived properties, excess molar volume, viscosity and refractive index deviations, which are then correlated with Redlich-Kister polynomial equation. To support the discussion regarding interactions, FF-IR analyses of pure components and mixtures with highest absolute values of excess molar volume were presented. Additionally, viscosity modelling was performed with predictive and correlative models and results were discussed from the point of potential usage of applied models to calculate viscosity of investigated systems.",
publisher = "Elsevier, Amsterdam",
journal = "Fluid Phase Equilibria",
title = "Thermodynamic study of ester diethyl tartrate and its binary systems with iso-alcohols",
volume = "509",
doi = "10.1016/j.fluid.2020.112461"
}
Majstorović, D., Radović, I., Kijevčanin, M.,& Živković, E.. (2020). Thermodynamic study of ester diethyl tartrate and its binary systems with iso-alcohols. in Fluid Phase Equilibria
Elsevier, Amsterdam., 509.
https://doi.org/10.1016/j.fluid.2020.112461
Majstorović D, Radović I, Kijevčanin M, Živković E. Thermodynamic study of ester diethyl tartrate and its binary systems with iso-alcohols. in Fluid Phase Equilibria. 2020;509.
doi:10.1016/j.fluid.2020.112461 .
Majstorović, Divna, Radović, Ivona, Kijevčanin, Mirjana, Živković, Emila, "Thermodynamic study of ester diethyl tartrate and its binary systems with iso-alcohols" in Fluid Phase Equilibria, 509 (2020),
https://doi.org/10.1016/j.fluid.2020.112461 . .
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Intermolecular interactions of cis-3-hexes-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations

Zarić, Milana; Radović, Ivona; Kijevčanin, Mirjana

(Elsevier, Amsterdam, 2020)

TY  - JOUR
AU  - Zarić, Milana
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4526
AB  - Thermodynamic properties (density, viscosity, refractive index and speed of sound) of pure substances cis-3-hexen-1-ol, 1-hexanol and n-hexane and their binary systems cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane were measured. All measurements are reported in the range (288.15 to 318.15) K at seven temperatures and at atmospheric pressure. Excess molar volume (V-E), viscosity deviation (Delta eta), refractive index deviation (Delta n(D)) and speed of sound deviation (Delta u) were calculated based on the experimental data. Derivate properties were fitted using Redlich-Kister equation. Additionally, for analyzing the molecular interaction, the FT-IR spectroscopy and quantum chemical calculations were performed. The results show differences in viscosity deviation between cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane mixtures, indicating some specific role of double bonds in properties of the mixtures. The FT-IR spectra indicate change in double bond frequency between pure cis-3-hexen-1-ol and mixture of cis-3-hexen-1-ol + n-hexane, and quantum chemical calculations confirmed the possibility of double bond influence on the properties of the mixtures.
PB  - Elsevier, Amsterdam
T2  - Journal of Molecular Liquids
T1  - Intermolecular interactions of cis-3-hexes-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations
VL  - 303
DO  - 10.1016/j.molliq.2020.112486
ER  - 
@article{
author = "Zarić, Milana and Radović, Ivona and Kijevčanin, Mirjana",
year = "2020",
abstract = "Thermodynamic properties (density, viscosity, refractive index and speed of sound) of pure substances cis-3-hexen-1-ol, 1-hexanol and n-hexane and their binary systems cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane were measured. All measurements are reported in the range (288.15 to 318.15) K at seven temperatures and at atmospheric pressure. Excess molar volume (V-E), viscosity deviation (Delta eta), refractive index deviation (Delta n(D)) and speed of sound deviation (Delta u) were calculated based on the experimental data. Derivate properties were fitted using Redlich-Kister equation. Additionally, for analyzing the molecular interaction, the FT-IR spectroscopy and quantum chemical calculations were performed. The results show differences in viscosity deviation between cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane mixtures, indicating some specific role of double bonds in properties of the mixtures. The FT-IR spectra indicate change in double bond frequency between pure cis-3-hexen-1-ol and mixture of cis-3-hexen-1-ol + n-hexane, and quantum chemical calculations confirmed the possibility of double bond influence on the properties of the mixtures.",
publisher = "Elsevier, Amsterdam",
journal = "Journal of Molecular Liquids",
title = "Intermolecular interactions of cis-3-hexes-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations",
volume = "303",
doi = "10.1016/j.molliq.2020.112486"
}
Zarić, M., Radović, I.,& Kijevčanin, M.. (2020). Intermolecular interactions of cis-3-hexes-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations. in Journal of Molecular Liquids
Elsevier, Amsterdam., 303.
https://doi.org/10.1016/j.molliq.2020.112486
Zarić M, Radović I, Kijevčanin M. Intermolecular interactions of cis-3-hexes-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations. in Journal of Molecular Liquids. 2020;303.
doi:10.1016/j.molliq.2020.112486 .
Zarić, Milana, Radović, Ivona, Kijevčanin, Mirjana, "Intermolecular interactions of cis-3-hexes-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations" in Journal of Molecular Liquids, 303 (2020),
https://doi.org/10.1016/j.molliq.2020.112486 . .
3
3
3

Volumetric and Viscometric Study of 1-Hexanol-Based Binary Systems: Experimental Determination and Modeling

Živković, Nikola V.; Majstorović, Divna; Kijevčanin, Mirjana; Živković, Emila

(Amer Chemical Soc, Washington, 2020)

TY  - JOUR
AU  - Živković, Nikola V.
AU  - Majstorović, Divna
AU  - Kijevčanin, Mirjana
AU  - Živković, Emila
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4531
AB  - Density, viscosity, and refractive index of four binary mixtures with 1-hexanol are experimentally determined at seven temperatures, in the temperature range from 288.15 to 318.15 K and at atmospheric pressure. The choice of mixtures was based on their potential for applications in flue gas cleaning processes. From experimental data, excess molar volume, viscosity deviation, excess molar Gibbs free energy of activation of viscous flow, deviation in refractive index, and partial and excess partial molar volumes are calculated, correlated with the Redlich-Kister equation, and used for better understanding of molecular interactions between the mixture components. Since the mixtures were investigated both from the theoretical point of view and with the aspect for practical applications, modeling of two key properties, viscosity and excess molar volume, was performed with different models and approaches and the results are compared with experimental values.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Chemical and Engineering Data
T1  - Volumetric and Viscometric Study of 1-Hexanol-Based Binary Systems: Experimental Determination and Modeling
EP  - 3062
IS  - 6
SP  - 3044
VL  - 65
DO  - 10.1021/acs.jced.0c00083
ER  - 
@article{
author = "Živković, Nikola V. and Majstorović, Divna and Kijevčanin, Mirjana and Živković, Emila",
year = "2020",
abstract = "Density, viscosity, and refractive index of four binary mixtures with 1-hexanol are experimentally determined at seven temperatures, in the temperature range from 288.15 to 318.15 K and at atmospheric pressure. The choice of mixtures was based on their potential for applications in flue gas cleaning processes. From experimental data, excess molar volume, viscosity deviation, excess molar Gibbs free energy of activation of viscous flow, deviation in refractive index, and partial and excess partial molar volumes are calculated, correlated with the Redlich-Kister equation, and used for better understanding of molecular interactions between the mixture components. Since the mixtures were investigated both from the theoretical point of view and with the aspect for practical applications, modeling of two key properties, viscosity and excess molar volume, was performed with different models and approaches and the results are compared with experimental values.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Chemical and Engineering Data",
title = "Volumetric and Viscometric Study of 1-Hexanol-Based Binary Systems: Experimental Determination and Modeling",
pages = "3062-3044",
number = "6",
volume = "65",
doi = "10.1021/acs.jced.0c00083"
}
Živković, N. V., Majstorović, D., Kijevčanin, M.,& Živković, E.. (2020). Volumetric and Viscometric Study of 1-Hexanol-Based Binary Systems: Experimental Determination and Modeling. in Journal of Chemical and Engineering Data
Amer Chemical Soc, Washington., 65(6), 3044-3062.
https://doi.org/10.1021/acs.jced.0c00083
Živković NV, Majstorović D, Kijevčanin M, Živković E. Volumetric and Viscometric Study of 1-Hexanol-Based Binary Systems: Experimental Determination and Modeling. in Journal of Chemical and Engineering Data. 2020;65(6):3044-3062.
doi:10.1021/acs.jced.0c00083 .
Živković, Nikola V., Majstorović, Divna, Kijevčanin, Mirjana, Živković, Emila, "Volumetric and Viscometric Study of 1-Hexanol-Based Binary Systems: Experimental Determination and Modeling" in Journal of Chemical and Engineering Data, 65, no. 6 (2020):3044-3062,
https://doi.org/10.1021/acs.jced.0c00083 . .
4
2
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Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol

Majstorović, Divna; Mirković, Marija R.; Kijevčanin, Mirjana; Živković, Emila

(Savez hemijskih inženjera, Beograd, 2020)

TY  - JOUR
AU  - Majstorović, Divna
AU  - Mirković, Marija R.
AU  - Kijevčanin, Mirjana
AU  - Živković, Emila
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4372
AB  - The aim of this research is the experimental determination of density, viscosity, refractive index and speed of sound for binary mixtures of the ester ethyl acetate and alcohols. Experimental measurements were carried out for two systems with 1-propanol and 1-butanol at atmospheric pressure and in a temperature range 288.15 - 323.15 K. Results of experimental measurements were further used to determine excess molar volumes, viscosity deviations, refractive index deviations, and excess isentropic compressibility for each investigated mixture. These calculated data were correlated using the empirical Redlich-Kister equation. Positive values of the excess molar volume and isentropic compressibility appear for both analysed systems, while values of viscosity and refractive index deviations are negative. The structure and specific characteristics of different molecules in considered mixtures and determined non-ideal behaviour allow the insight into the possible type of interactions in the mixture, interstitial accommodation and structural effects.
PB  - Savez hemijskih inženjera, Beograd
T2  - Hemijska industrija
T1  - Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol
EP  - 185
IS  - 3
SP  - 163
VL  - 74
DO  - 10.2298/HEMIND191203017M
ER  - 
@article{
author = "Majstorović, Divna and Mirković, Marija R. and Kijevčanin, Mirjana and Živković, Emila",
year = "2020",
abstract = "The aim of this research is the experimental determination of density, viscosity, refractive index and speed of sound for binary mixtures of the ester ethyl acetate and alcohols. Experimental measurements were carried out for two systems with 1-propanol and 1-butanol at atmospheric pressure and in a temperature range 288.15 - 323.15 K. Results of experimental measurements were further used to determine excess molar volumes, viscosity deviations, refractive index deviations, and excess isentropic compressibility for each investigated mixture. These calculated data were correlated using the empirical Redlich-Kister equation. Positive values of the excess molar volume and isentropic compressibility appear for both analysed systems, while values of viscosity and refractive index deviations are negative. The structure and specific characteristics of different molecules in considered mixtures and determined non-ideal behaviour allow the insight into the possible type of interactions in the mixture, interstitial accommodation and structural effects.",
publisher = "Savez hemijskih inženjera, Beograd",
journal = "Hemijska industrija",
title = "Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol",
pages = "185-163",
number = "3",
volume = "74",
doi = "10.2298/HEMIND191203017M"
}
Majstorović, D., Mirković, M. R., Kijevčanin, M.,& Živković, E.. (2020). Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol. in Hemijska industrija
Savez hemijskih inženjera, Beograd., 74(3), 163-185.
https://doi.org/10.2298/HEMIND191203017M
Majstorović D, Mirković MR, Kijevčanin M, Živković E. Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol. in Hemijska industrija. 2020;74(3):163-185.
doi:10.2298/HEMIND191203017M .
Majstorović, Divna, Mirković, Marija R., Kijevčanin, Mirjana, Živković, Emila, "Analysis of thermophysical properties of binary systems containing ethyl acetate and 1-propanol or 1-butanol" in Hemijska industrija, 74, no. 3 (2020):163-185,
https://doi.org/10.2298/HEMIND191203017M . .
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5

Isopiestic determination of the osmotic and activity coefficients of {yK(2)HPO(4) + (1-y)KH2PO4}(aq) at T=298.15 K

Ivanović, Tijana; Popović, Daniela; Miladinović, Jelena; Rard, Joseph A.; Miladinović, Zoran P.; Pastor, Ferenc

(Academic Press Ltd- Elsevier Science Ltd, London, 2020)

TY  - JOUR
AU  - Ivanović, Tijana
AU  - Popović, Daniela
AU  - Miladinović, Jelena
AU  - Rard, Joseph A.
AU  - Miladinović, Zoran P.
AU  - Pastor, Ferenc
PY  - 2020
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4346
AB  - Isopiestic measurements have been made at 55 compositions of the {yK(2)HPO(4) + (1 - y)KH2PO4}(aq) system at T = (298.15 +/- 0.01) K, 11 for each of the limiting binary solutions and 33 for mixture compositions at K2HPO4 stoichiometric ionic strength fractions y = (0.23330, 0.47671, and 0.73177), using KCl(aq) as the reference standard. Model parameters for the binary subsystems were evaluated at this temperature for an extended form of Pitzer's ion-interaction model and also for the Clegg, Pitzer and Brimblecombe model based on the mole-fraction-composition scale, using the present isopiestic results along with critically-assessed osmotic coefficients for both of these aqueous electrolytes as extracted from the published literature. The thermodynamic models for KH2PO4(aq) extend to slightly above the saturated solution molality at T = (298.15 +/- 0.01) K, whereas those for K2HPO4(aq) extend to m = 9.7429 mol.kg(-1), which is the molality of the saturated solution, also at T = (298.15 +/- 0.01) K. These results yield the CODATA-compatible standard Gibbs energy of formation Delta(f)G(m)(o)(K2HPO4 center dot 3H(2)O; cr; 298.15 K) = -(2367.70 +/- 1.60) kJ.mol(-1). The 33 osmotic coefficients for the ternary mixtures were likewise represented with these models, using both the usual Pitzer mixing terms and also Scatchard's neutral-electrolyte model mixing terms for the extended ion-interaction model. Two mixing parameters are needed for each of the three models for {yK(2)HPO(4) + (1 - y)KH2PO4}(aq), and both of these ion-interaction models give similar high-quality representations of the experimental results. However, the Clegg, Pitzer and Brimblecombe model had more difficulty in representing the osmotic coefficients of K2HPO4(aq), especially below 3 mol.kg(-1), and consequently the corresponding mixture model with two mixing parameters is slightly less accurate for representing the osmotic coefficients. The maximum difference in calculated values of the mean molality-based activity coefficients for the two recommended extended Pitzer models with the different types of mixing terms are 0.0061 for the trace activity coefficient of K2HPO4(aq) in KH2PO4(aq) but with much better agreement at most mixture compositions.
PB  - Academic Press Ltd- Elsevier Science Ltd, London
T2  - Journal of Chemical Thermodynamics
T1  - Isopiestic determination of the osmotic and activity coefficients of {yK(2)HPO(4) + (1-y)KH2PO4}(aq) at T=298.15 K
VL  - 142
DO  - 10.1016/j.jct.2019.105945
ER  - 
@article{
author = "Ivanović, Tijana and Popović, Daniela and Miladinović, Jelena and Rard, Joseph A. and Miladinović, Zoran P. and Pastor, Ferenc",
year = "2020",
abstract = "Isopiestic measurements have been made at 55 compositions of the {yK(2)HPO(4) + (1 - y)KH2PO4}(aq) system at T = (298.15 +/- 0.01) K, 11 for each of the limiting binary solutions and 33 for mixture compositions at K2HPO4 stoichiometric ionic strength fractions y = (0.23330, 0.47671, and 0.73177), using KCl(aq) as the reference standard. Model parameters for the binary subsystems were evaluated at this temperature for an extended form of Pitzer's ion-interaction model and also for the Clegg, Pitzer and Brimblecombe model based on the mole-fraction-composition scale, using the present isopiestic results along with critically-assessed osmotic coefficients for both of these aqueous electrolytes as extracted from the published literature. The thermodynamic models for KH2PO4(aq) extend to slightly above the saturated solution molality at T = (298.15 +/- 0.01) K, whereas those for K2HPO4(aq) extend to m = 9.7429 mol.kg(-1), which is the molality of the saturated solution, also at T = (298.15 +/- 0.01) K. These results yield the CODATA-compatible standard Gibbs energy of formation Delta(f)G(m)(o)(K2HPO4 center dot 3H(2)O; cr; 298.15 K) = -(2367.70 +/- 1.60) kJ.mol(-1). The 33 osmotic coefficients for the ternary mixtures were likewise represented with these models, using both the usual Pitzer mixing terms and also Scatchard's neutral-electrolyte model mixing terms for the extended ion-interaction model. Two mixing parameters are needed for each of the three models for {yK(2)HPO(4) + (1 - y)KH2PO4}(aq), and both of these ion-interaction models give similar high-quality representations of the experimental results. However, the Clegg, Pitzer and Brimblecombe model had more difficulty in representing the osmotic coefficients of K2HPO4(aq), especially below 3 mol.kg(-1), and consequently the corresponding mixture model with two mixing parameters is slightly less accurate for representing the osmotic coefficients. The maximum difference in calculated values of the mean molality-based activity coefficients for the two recommended extended Pitzer models with the different types of mixing terms are 0.0061 for the trace activity coefficient of K2HPO4(aq) in KH2PO4(aq) but with much better agreement at most mixture compositions.",
publisher = "Academic Press Ltd- Elsevier Science Ltd, London",
journal = "Journal of Chemical Thermodynamics",
title = "Isopiestic determination of the osmotic and activity coefficients of {yK(2)HPO(4) + (1-y)KH2PO4}(aq) at T=298.15 K",
volume = "142",
doi = "10.1016/j.jct.2019.105945"
}
Ivanović, T., Popović, D., Miladinović, J., Rard, J. A., Miladinović, Z. P.,& Pastor, F.. (2020). Isopiestic determination of the osmotic and activity coefficients of {yK(2)HPO(4) + (1-y)KH2PO4}(aq) at T=298.15 K. in Journal of Chemical Thermodynamics
Academic Press Ltd- Elsevier Science Ltd, London., 142.
https://doi.org/10.1016/j.jct.2019.105945
Ivanović T, Popović D, Miladinović J, Rard JA, Miladinović ZP, Pastor F. Isopiestic determination of the osmotic and activity coefficients of {yK(2)HPO(4) + (1-y)KH2PO4}(aq) at T=298.15 K. in Journal of Chemical Thermodynamics. 2020;142.
doi:10.1016/j.jct.2019.105945 .
Ivanović, Tijana, Popović, Daniela, Miladinović, Jelena, Rard, Joseph A., Miladinović, Zoran P., Pastor, Ferenc, "Isopiestic determination of the osmotic and activity coefficients of {yK(2)HPO(4) + (1-y)KH2PO4}(aq) at T=298.15 K" in Journal of Chemical Thermodynamics, 142 (2020),
https://doi.org/10.1016/j.jct.2019.105945 . .
6
1
6

High pressure densities and derived properties of biodiesel fuel produced by heterogeneous transesterification from biowaste

Miskov, Sofija P.; Ivaniš, Gorica; Radović, Ivona; Kijevčanin, Mirjana

(Univerzitet u Beogradu - Institut za nuklearne nauke Vinča, Beograd, 2019)

TY  - JOUR
AU  - Miskov, Sofija P.
AU  - Ivaniš, Gorica
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4042
AB  - High pressure density of biodiesel is a crucial parameter necessary for the Diesel engine design and performance improvement as well as proper combustion optimization. Biodiesel production utilizing biowaste as raw material reduces the capital costs and environmental problems related to biowaste disposal. In this investigation, biodiesel was synthesized in a heterogeneous transesterification reaction utilizing used cooking oil and methanol as reactants and eggshell raw material as a calcium-oxide catalyst source. Calcination was carried out at temperature 1073.15 K for 4 hours and transesterification was conducted at 338.15 K. Densities of produced biodiesel were measured at pressures up to 60 MPa and over the temperature range 288.15-413.15 K and fitted employing the modified Tammann-Tait equation. Viscosities of biodiesel are also measured at atmospheric pressure over the temperature range 288.15-338.15 K. From measured density data, important mechanical properties, such as the isothermal compressibility and the isobaric thermal expansivity, were calculated. High transesterification reaction yield was obtained (almost 99 wt.%) while densities and viscosities of analyzed biodiesel sample were in accordance with recommended standard values.
PB  - Univerzitet u Beogradu - Institut za nuklearne nauke Vinča, Beograd
T2  - Thermal Science
T1  - High pressure densities and derived properties of biodiesel fuel produced by heterogeneous transesterification from biowaste
EP  - S1768
SP  - S1757
VL  - 23
DO  - 10.2298/TSCI180723178M
ER  - 
@article{
author = "Miskov, Sofija P. and Ivaniš, Gorica and Radović, Ivona and Kijevčanin, Mirjana",
year = "2019",
abstract = "High pressure density of biodiesel is a crucial parameter necessary for the Diesel engine design and performance improvement as well as proper combustion optimization. Biodiesel production utilizing biowaste as raw material reduces the capital costs and environmental problems related to biowaste disposal. In this investigation, biodiesel was synthesized in a heterogeneous transesterification reaction utilizing used cooking oil and methanol as reactants and eggshell raw material as a calcium-oxide catalyst source. Calcination was carried out at temperature 1073.15 K for 4 hours and transesterification was conducted at 338.15 K. Densities of produced biodiesel were measured at pressures up to 60 MPa and over the temperature range 288.15-413.15 K and fitted employing the modified Tammann-Tait equation. Viscosities of biodiesel are also measured at atmospheric pressure over the temperature range 288.15-338.15 K. From measured density data, important mechanical properties, such as the isothermal compressibility and the isobaric thermal expansivity, were calculated. High transesterification reaction yield was obtained (almost 99 wt.%) while densities and viscosities of analyzed biodiesel sample were in accordance with recommended standard values.",
publisher = "Univerzitet u Beogradu - Institut za nuklearne nauke Vinča, Beograd",
journal = "Thermal Science",
title = "High pressure densities and derived properties of biodiesel fuel produced by heterogeneous transesterification from biowaste",
pages = "S1768-S1757",
volume = "23",
doi = "10.2298/TSCI180723178M"
}
Miskov, S. P., Ivaniš, G., Radović, I.,& Kijevčanin, M.. (2019). High pressure densities and derived properties of biodiesel fuel produced by heterogeneous transesterification from biowaste. in Thermal Science
Univerzitet u Beogradu - Institut za nuklearne nauke Vinča, Beograd., 23, S1757-S1768.
https://doi.org/10.2298/TSCI180723178M
Miskov SP, Ivaniš G, Radović I, Kijevčanin M. High pressure densities and derived properties of biodiesel fuel produced by heterogeneous transesterification from biowaste. in Thermal Science. 2019;23:S1757-S1768.
doi:10.2298/TSCI180723178M .
Miskov, Sofija P., Ivaniš, Gorica, Radović, Ivona, Kijevčanin, Mirjana, "High pressure densities and derived properties of biodiesel fuel produced by heterogeneous transesterification from biowaste" in Thermal Science, 23 (2019):S1757-S1768,
https://doi.org/10.2298/TSCI180723178M . .
3
2

Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems

Zarić, Milana; Imhof, Petra; Radović, Ivona; Kijevčanin, Mirjana

(Serbian Chemical Society, Belgrade, 2019)

TY  - CONF
AU  - Zarić, Milana
AU  - Imhof, Petra
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4187
AB  - Experimental and theoretical methods were used to study two mixtures, 1-hexanol with nhexane and cis-3-hexen-1-ol with n-hexane. The experimental technics were used to determine excess molar volume and viscosity deviations in the temperature range from 288.15K to 318.15K. The data of excess molar volume indicate similar behavior of the two alcohols, 1-hexanol and cis-3-hexen-1-ol in mixtures with n-hexane. The experimental data are in accordance with molecular dynamics simulation of these mixtures, showing similar number of hydrogen bonds in the two mixtures. The experimental data of viscosity deviations show difference of the two mixtures, where the deviation is significantly larger for cis-3- hexen-1-ol and n-hexane mixture, indicating stronger interactions within cis-3-hexen-1-ol and n-hexane binary mixture. These experimental data are in accordance with quantum chemical calculations on interactions energies. Namely, calculated interaction energies show that interaction between single and double bonds are stronger, than interactions between two single bonds.
AB  - Eksperimentalne i teorijske metode korišćene su za proučavanje dve smeše, 1-heksanola sa n-heksanom i cis-3-heksen-1-ola sa n-heksanom. Eksperimentalne tehnike su korišćene za određivanje dopunskih zapremina i promene viskoznosti za temperaturni opseg od 288.15K do 318.15K. Podaci o dopunskoj molarnoj zapremini ukazuje na slično ponašanje dva alkohola, 1-heksanola i cis-3-heksen-1-ola u smešama sa n-heksanom. Eksperimentalni podaci su u skladu sa simulacijom molekularne dinamike ovih smeša, pokazujući sličan broj vodoničnih veza u dve smeše. Eksperimentalni podaci o promeni viskoznosti pokazuju značajnu razliku između dve smeše, odstupanje je značajno veće za smešu cis-3-heksen-1- ol i n-heksan, što ukazuje na jaču interakciju u binarnoj smeši cis-3-heksen-1-ola i nheksana. Ovi eksperimentalni podaci su u skladu sa kvantno-hemijskim proračunima energija interakcija na molekulskom nivou. Naime, izračunate energije interakcije pokazuju da je interakcija između jednostrukih i dvostrukih veza jača, nego interakcija između dve jednostruke veze.
PB  - Serbian Chemical Society, Belgrade
C3  - 56th Meeting of the Serbian chemical Society - Proceedings
T1  - Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems
T1  - Eksperimentalna merenja i teorijske simulacije binarnih sistema alkohola i ugljovodonika
SP  - 38
UR  - https://hdl.handle.net/21.15107/rcub_technorep_4187
ER  - 
@conference{
author = "Zarić, Milana and Imhof, Petra and Radović, Ivona and Kijevčanin, Mirjana",
year = "2019",
abstract = "Experimental and theoretical methods were used to study two mixtures, 1-hexanol with nhexane and cis-3-hexen-1-ol with n-hexane. The experimental technics were used to determine excess molar volume and viscosity deviations in the temperature range from 288.15K to 318.15K. The data of excess molar volume indicate similar behavior of the two alcohols, 1-hexanol and cis-3-hexen-1-ol in mixtures with n-hexane. The experimental data are in accordance with molecular dynamics simulation of these mixtures, showing similar number of hydrogen bonds in the two mixtures. The experimental data of viscosity deviations show difference of the two mixtures, where the deviation is significantly larger for cis-3- hexen-1-ol and n-hexane mixture, indicating stronger interactions within cis-3-hexen-1-ol and n-hexane binary mixture. These experimental data are in accordance with quantum chemical calculations on interactions energies. Namely, calculated interaction energies show that interaction between single and double bonds are stronger, than interactions between two single bonds., Eksperimentalne i teorijske metode korišćene su za proučavanje dve smeše, 1-heksanola sa n-heksanom i cis-3-heksen-1-ola sa n-heksanom. Eksperimentalne tehnike su korišćene za određivanje dopunskih zapremina i promene viskoznosti za temperaturni opseg od 288.15K do 318.15K. Podaci o dopunskoj molarnoj zapremini ukazuje na slično ponašanje dva alkohola, 1-heksanola i cis-3-heksen-1-ola u smešama sa n-heksanom. Eksperimentalni podaci su u skladu sa simulacijom molekularne dinamike ovih smeša, pokazujući sličan broj vodoničnih veza u dve smeše. Eksperimentalni podaci o promeni viskoznosti pokazuju značajnu razliku između dve smeše, odstupanje je značajno veće za smešu cis-3-heksen-1- ol i n-heksan, što ukazuje na jaču interakciju u binarnoj smeši cis-3-heksen-1-ola i nheksana. Ovi eksperimentalni podaci su u skladu sa kvantno-hemijskim proračunima energija interakcija na molekulskom nivou. Naime, izračunate energije interakcije pokazuju da je interakcija između jednostrukih i dvostrukih veza jača, nego interakcija između dve jednostruke veze.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "56th Meeting of the Serbian chemical Society - Proceedings",
title = "Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems, Eksperimentalna merenja i teorijske simulacije binarnih sistema alkohola i ugljovodonika",
pages = "38",
url = "https://hdl.handle.net/21.15107/rcub_technorep_4187"
}
Zarić, M., Imhof, P., Radović, I.,& Kijevčanin, M.. (2019). Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems. in 56th Meeting of the Serbian chemical Society - Proceedings
Serbian Chemical Society, Belgrade., 38.
https://hdl.handle.net/21.15107/rcub_technorep_4187
Zarić M, Imhof P, Radović I, Kijevčanin M. Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems. in 56th Meeting of the Serbian chemical Society - Proceedings. 2019;:38.
https://hdl.handle.net/21.15107/rcub_technorep_4187 .
Zarić, Milana, Imhof, Petra, Radović, Ivona, Kijevčanin, Mirjana, "Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems" in 56th Meeting of the Serbian chemical Society - Proceedings (2019):38,
https://hdl.handle.net/21.15107/rcub_technorep_4187 .

Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes

Vuksanović, Jelena; Soldatović, Danijela; Radović, Ivona; Višak, Zoran P.; Kijevčanin, Mirjana

(Academic Press Ltd- Elsevier Science Ltd, London, 2019)

TY  - JOUR
AU  - Vuksanović, Jelena
AU  - Soldatović, Danijela
AU  - Radović, Ivona
AU  - Višak, Zoran P.
AU  - Kijevčanin, Mirjana
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4332
AB  - Density rho, viscosity eta and refractive index n(D) have been experimentally measured for four binary mixtures of poly(propylene glycol) of average molecular weight 425 + toluene/o-xylene/m-xylene/p-xylene over the temperature range T = (293.15-333.15) K with temperature step 5 K and at atmospheric pressure. From the experimental data excess molar volumes V-E, deviations in refractive index Delta n(D), viscosity deviations Delta eta and excess Gibbs free energy of activation of viscous flow Delta G(*E) were calculated and fitted with Redlich-Kister polynomial in order to analyze non-ideal behavior of the studied mixtures. From Delta G(*) values excess entropy AS(*E) and excess enthalpy of activation of viscous flow Delta H-*E were also calculated. It was shown that specific weak, but numerous, attractive interactions and entropic effect, due to difference in size of the pure component molecules, are responsible for volumetric and viscosity behaviour of the studied systems. The viscosities of the studied systems were predicted with the UNIFAC-VISCO and ASOG-VISCO models and correlated with the McAllister equation.
PB  - Academic Press Ltd- Elsevier Science Ltd, London
T2  - Journal of Chemical Thermodynamics
T1  - Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes
EP  - 403
SP  - 393
VL  - 131
DO  - 10.1016/j.jct.2018.11.020
ER  - 
@article{
author = "Vuksanović, Jelena and Soldatović, Danijela and Radović, Ivona and Višak, Zoran P. and Kijevčanin, Mirjana",
year = "2019",
abstract = "Density rho, viscosity eta and refractive index n(D) have been experimentally measured for four binary mixtures of poly(propylene glycol) of average molecular weight 425 + toluene/o-xylene/m-xylene/p-xylene over the temperature range T = (293.15-333.15) K with temperature step 5 K and at atmospheric pressure. From the experimental data excess molar volumes V-E, deviations in refractive index Delta n(D), viscosity deviations Delta eta and excess Gibbs free energy of activation of viscous flow Delta G(*E) were calculated and fitted with Redlich-Kister polynomial in order to analyze non-ideal behavior of the studied mixtures. From Delta G(*) values excess entropy AS(*E) and excess enthalpy of activation of viscous flow Delta H-*E were also calculated. It was shown that specific weak, but numerous, attractive interactions and entropic effect, due to difference in size of the pure component molecules, are responsible for volumetric and viscosity behaviour of the studied systems. The viscosities of the studied systems were predicted with the UNIFAC-VISCO and ASOG-VISCO models and correlated with the McAllister equation.",
publisher = "Academic Press Ltd- Elsevier Science Ltd, London",
journal = "Journal of Chemical Thermodynamics",
title = "Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes",
pages = "403-393",
volume = "131",
doi = "10.1016/j.jct.2018.11.020"
}
Vuksanović, J., Soldatović, D., Radović, I., Višak, Z. P.,& Kijevčanin, M.. (2019). Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes. in Journal of Chemical Thermodynamics
Academic Press Ltd- Elsevier Science Ltd, London., 131, 393-403.
https://doi.org/10.1016/j.jct.2018.11.020
Vuksanović J, Soldatović D, Radović I, Višak ZP, Kijevčanin M. Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes. in Journal of Chemical Thermodynamics. 2019;131:393-403.
doi:10.1016/j.jct.2018.11.020 .
Vuksanović, Jelena, Soldatović, Danijela, Radović, Ivona, Višak, Zoran P., Kijevčanin, Mirjana, "Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes" in Journal of Chemical Thermodynamics, 131 (2019):393-403,
https://doi.org/10.1016/j.jct.2018.11.020 . .
12
6
15

Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes

Vuksanović, Jelena; Soldatović, Danijela; Radović, Ivona; Višak, Zoran P.; Kijevčanin, Mirjana

(Academic Press Ltd- Elsevier Science Ltd, London, 2019)

TY  - JOUR
AU  - Vuksanović, Jelena
AU  - Soldatović, Danijela
AU  - Radović, Ivona
AU  - Višak, Zoran P.
AU  - Kijevčanin, Mirjana
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4332
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5135
AB  - Density rho, viscosity eta and refractive index n(D) have been experimentally measured for four binary mixtures of poly(propylene glycol) of average molecular weight 425 + toluene/o-xylene/m-xylene/p-xylene over the temperature range T = (293.15-333.15) K with temperature step 5 K and at atmospheric pressure. From the experimental data excess molar volumes V-E, deviations in refractive index Delta n(D), viscosity deviations Delta eta and excess Gibbs free energy of activation of viscous flow Delta G(*E) were calculated and fitted with Redlich-Kister polynomial in order to analyze non-ideal behavior of the studied mixtures. From Delta G(*) values excess entropy AS(*E) and excess enthalpy of activation of viscous flow Delta H-*E were also calculated. It was shown that specific weak, but numerous, attractive interactions and entropic effect, due to difference in size of the pure component molecules, are responsible for volumetric and viscosity behaviour of the studied systems. The viscosities of the studied systems were predicted with the UNIFAC-VISCO and ASOG-VISCO models and correlated with the McAllister equation.
PB  - Academic Press Ltd- Elsevier Science Ltd, London
T2  - Journal of Chemical Thermodynamics
T1  - Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes
EP  - 403
SP  - 393
VL  - 131
DO  - 10.1016/j.jct.2018.11.020
ER  - 
@article{
author = "Vuksanović, Jelena and Soldatović, Danijela and Radović, Ivona and Višak, Zoran P. and Kijevčanin, Mirjana",
year = "2019",
abstract = "Density rho, viscosity eta and refractive index n(D) have been experimentally measured for four binary mixtures of poly(propylene glycol) of average molecular weight 425 + toluene/o-xylene/m-xylene/p-xylene over the temperature range T = (293.15-333.15) K with temperature step 5 K and at atmospheric pressure. From the experimental data excess molar volumes V-E, deviations in refractive index Delta n(D), viscosity deviations Delta eta and excess Gibbs free energy of activation of viscous flow Delta G(*E) were calculated and fitted with Redlich-Kister polynomial in order to analyze non-ideal behavior of the studied mixtures. From Delta G(*) values excess entropy AS(*E) and excess enthalpy of activation of viscous flow Delta H-*E were also calculated. It was shown that specific weak, but numerous, attractive interactions and entropic effect, due to difference in size of the pure component molecules, are responsible for volumetric and viscosity behaviour of the studied systems. The viscosities of the studied systems were predicted with the UNIFAC-VISCO and ASOG-VISCO models and correlated with the McAllister equation.",
publisher = "Academic Press Ltd- Elsevier Science Ltd, London",
journal = "Journal of Chemical Thermodynamics",
title = "Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes",
pages = "403-393",
volume = "131",
doi = "10.1016/j.jct.2018.11.020"
}
Vuksanović, J., Soldatović, D., Radović, I., Višak, Z. P.,& Kijevčanin, M.. (2019). Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes. in Journal of Chemical Thermodynamics
Academic Press Ltd- Elsevier Science Ltd, London., 131, 393-403.
https://doi.org/10.1016/j.jct.2018.11.020
Vuksanović J, Soldatović D, Radović I, Višak ZP, Kijevčanin M. Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes. in Journal of Chemical Thermodynamics. 2019;131:393-403.
doi:10.1016/j.jct.2018.11.020 .
Vuksanović, Jelena, Soldatović, Danijela, Radović, Ivona, Višak, Zoran P., Kijevčanin, Mirjana, "Thermodynamic characterization of binary mixtures of poly(propylene glycol) 425 with toluene and o-, m- and p-xylenes" in Journal of Chemical Thermodynamics, 131 (2019):393-403,
https://doi.org/10.1016/j.jct.2018.11.020 . .
12
6
16

Isopiestic Determination of the Osmotic and Activity Coefficients of the {yNaH(2)PO(4)+(1-y)KH2PO4}(aq) System at T=298.15K

Ivanović, Tijana; Popović, Daniela; Miladinović, Jelena; Rard, Joseph A.; Miladinović, Zoran P.; Belošević, Svetlana; Trivunac, Katarina

(Springer/Plenum Publishers, New York, 2019)

TY  - JOUR
AU  - Ivanović, Tijana
AU  - Popović, Daniela
AU  - Miladinović, Jelena
AU  - Rard, Joseph A.
AU  - Miladinović, Zoran P.
AU  - Belošević, Svetlana
AU  - Trivunac, Katarina
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4174
AB  - Isopiestic measurements have been made for aqueous mixtures of NaH2PO4 and KH2PO4 at T=(298.15 +/- 0.01) K, at NaH2PO4 ionic strength fractions y=(0, 0.19108, 0.38306, 0.58192, and 1), assuming that both electrolytes dissociate as 1:1 electrolytes, using KCl(aq) as the reference standard solution. Model parameters for an extended form of Pitzer's ion-interaction model and also for the Clegg-Pitzer-Brimblecombe equations based on the mole-fraction-composition scale were evaluated at T=298.15K for NaH2PO4(aq) using the present isopiestic results (13 values), as were those for KH2PO4(aq) using the present isopiestic results (12 values), together with numerous critically-assessed osmotic coefficients for both electrolytes taken from the published literature. The thermodynamic models for KH2PO4(aq) extend to m=2.187molkg(-1), which is slightly above saturation, while those for NaH2PO4(aq) extend to m=7.5molkg(-1), which is below saturation. The 39 osmotic coefficients for the ternary mixtures from the present study along with 42 values from a published study were likewise represented with these models, with both the usual Pitzer mixing terms and also Scatchard's neutral-electrolyte model mixing terms being used for the extended ion-interaction model. Two mixing parameters were needed for each of the models, and all three models gave similar quality representations of the experimental results. Maximum differences in calculated values of mean molality-based activity coefficients for these three models are (+/-)(NaH2PO4)0.0080 and (+/-)(KH2PO4)0.0043. The experimental results were also found to nearly conform to Zdanovskii's rule.
PB  - Springer/Plenum Publishers, New York
T2  - Journal of Solution Chemistry
T1  - Isopiestic Determination of the Osmotic and Activity Coefficients of the {yNaH(2)PO(4)+(1-y)KH2PO4}(aq) System at T=298.15K
EP  - 328
IS  - 3
SP  - 296
VL  - 48
DO  - 10.1007/s10953-018-0839-4
ER  - 
@article{
author = "Ivanović, Tijana and Popović, Daniela and Miladinović, Jelena and Rard, Joseph A. and Miladinović, Zoran P. and Belošević, Svetlana and Trivunac, Katarina",
year = "2019",
abstract = "Isopiestic measurements have been made for aqueous mixtures of NaH2PO4 and KH2PO4 at T=(298.15 +/- 0.01) K, at NaH2PO4 ionic strength fractions y=(0, 0.19108, 0.38306, 0.58192, and 1), assuming that both electrolytes dissociate as 1:1 electrolytes, using KCl(aq) as the reference standard solution. Model parameters for an extended form of Pitzer's ion-interaction model and also for the Clegg-Pitzer-Brimblecombe equations based on the mole-fraction-composition scale were evaluated at T=298.15K for NaH2PO4(aq) using the present isopiestic results (13 values), as were those for KH2PO4(aq) using the present isopiestic results (12 values), together with numerous critically-assessed osmotic coefficients for both electrolytes taken from the published literature. The thermodynamic models for KH2PO4(aq) extend to m=2.187molkg(-1), which is slightly above saturation, while those for NaH2PO4(aq) extend to m=7.5molkg(-1), which is below saturation. The 39 osmotic coefficients for the ternary mixtures from the present study along with 42 values from a published study were likewise represented with these models, with both the usual Pitzer mixing terms and also Scatchard's neutral-electrolyte model mixing terms being used for the extended ion-interaction model. Two mixing parameters were needed for each of the models, and all three models gave similar quality representations of the experimental results. Maximum differences in calculated values of mean molality-based activity coefficients for these three models are (+/-)(NaH2PO4)0.0080 and (+/-)(KH2PO4)0.0043. The experimental results were also found to nearly conform to Zdanovskii's rule.",
publisher = "Springer/Plenum Publishers, New York",
journal = "Journal of Solution Chemistry",
title = "Isopiestic Determination of the Osmotic and Activity Coefficients of the {yNaH(2)PO(4)+(1-y)KH2PO4}(aq) System at T=298.15K",
pages = "328-296",
number = "3",
volume = "48",
doi = "10.1007/s10953-018-0839-4"
}
Ivanović, T., Popović, D., Miladinović, J., Rard, J. A., Miladinović, Z. P., Belošević, S.,& Trivunac, K.. (2019). Isopiestic Determination of the Osmotic and Activity Coefficients of the {yNaH(2)PO(4)+(1-y)KH2PO4}(aq) System at T=298.15K. in Journal of Solution Chemistry
Springer/Plenum Publishers, New York., 48(3), 296-328.
https://doi.org/10.1007/s10953-018-0839-4
Ivanović T, Popović D, Miladinović J, Rard JA, Miladinović ZP, Belošević S, Trivunac K. Isopiestic Determination of the Osmotic and Activity Coefficients of the {yNaH(2)PO(4)+(1-y)KH2PO4}(aq) System at T=298.15K. in Journal of Solution Chemistry. 2019;48(3):296-328.
doi:10.1007/s10953-018-0839-4 .
Ivanović, Tijana, Popović, Daniela, Miladinović, Jelena, Rard, Joseph A., Miladinović, Zoran P., Belošević, Svetlana, Trivunac, Katarina, "Isopiestic Determination of the Osmotic and Activity Coefficients of the {yNaH(2)PO(4)+(1-y)KH2PO4}(aq) System at T=298.15K" in Journal of Solution Chemistry, 48, no. 3 (2019):296-328,
https://doi.org/10.1007/s10953-018-0839-4 . .
8
3
7

Solutions of ionic liquids with diverse aliphatic and aromatic solutes - Phase behavior and potentials for applications: A review article

Višak, Zoran P.; Calado, Marta S.; Vuksanović, Jelena; Ivaniš, Gorica; Branco, Adriana S. H.; Grozdanić, Nikola; Kijevčanin, Mirjana; Šerbanović, Slobodan P.

(Elsevier, Amsterdam, 2019)

TY  - JOUR
AU  - Višak, Zoran P.
AU  - Calado, Marta S.
AU  - Vuksanović, Jelena
AU  - Ivaniš, Gorica
AU  - Branco, Adriana S. H.
AU  - Grozdanić, Nikola
AU  - Kijevčanin, Mirjana
AU  - Šerbanović, Slobodan P.
PY  - 2019
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4133
AB  - This article principally reviews our research related to liquid-liquid and solid-liquid phase behavior of imidazolium- and phosphonium-based ionic liquids, mainly having bistriflamide ([NTf2](-)) or triflate ([OTf](-)) anions, with several aliphatic and aromatic solutes (target molecules). The latter include: (i) diols and triols: 1,2-propanediol, 1,3-propanediol and glycerol; (ii) polymer poly(ethylene glycol) (PEG): average molecular mass 200, 400 and 2050 - PEG200 (liquid), PEG400 (liquid) and PEG2050 (solid), respectively; (iii) polar aromatic compounds: nicotine, aniline, phenolic acids (vanillic, ferulic and caffeic acid,), thymol and caffeine and (iv) non-polar aromatic compounds (benzene, toluene, p-xylene). In these studies, the effects of the cation and anion, cation alkyl chain and PEG chain lengths on the observed phase behaviors were scrutinized. Thus, one of the major observations is that the anion - bistriflamide/triflate - selection usually had strong, sometimes really remarkable effects on the solvent abilities of the studied ionic liquids. Namely, in the case of the hydrogen-bonding solutes, the ionic liquids with the triflate anion generally exhibited substantially higher solubility than those having the bistriflamide anion. Nevertheless, with the aromatic compounds the situation was the opposite - in most of the cases it was the bistriflamide anion that favoured solubility. Moreover, our other studies confirmed the ability of PEG to dissolve both polar and non-polar aromatic compounds. Therefore, two general possibilities of application of alternative, environmentally acceptable, solvents of tuneable solvent properties appeared. One is to use homogeneous mixtures of two ionic liquids having [NTf2](-) and [OTf](-) anions as mixed solvents. The other, however, envisages the application of homogeneous and heterogeneous (PEG + ionic liquid) solutions as tuneable solvents for aromatic solutes. Such mixed solvents have potential applications in separation of the aforesaid target molecules from their aqueous solutions or in extraction from original matrices. From the fundamental point of view the phase equilibrium studies reviewed herein and the diversity of the pure compounds - ionic liquids and target molecules - represent a good base for the discussion of interactions between the molecules that exist in the studied solutions.
PB  - Elsevier, Amsterdam
T2  - Arabian Journal of Chemistry
T1  - Solutions of ionic liquids with diverse aliphatic and aromatic solutes - Phase behavior and potentials for applications: A review article
EP  - 1640
IS  - 7
SP  - 1628
VL  - 12
DO  - 10.1016/j.arabjc.2014.10.003
ER  - 
@article{
author = "Višak, Zoran P. and Calado, Marta S. and Vuksanović, Jelena and Ivaniš, Gorica and Branco, Adriana S. H. and Grozdanić, Nikola and Kijevčanin, Mirjana and Šerbanović, Slobodan P.",
year = "2019",
abstract = "This article principally reviews our research related to liquid-liquid and solid-liquid phase behavior of imidazolium- and phosphonium-based ionic liquids, mainly having bistriflamide ([NTf2](-)) or triflate ([OTf](-)) anions, with several aliphatic and aromatic solutes (target molecules). The latter include: (i) diols and triols: 1,2-propanediol, 1,3-propanediol and glycerol; (ii) polymer poly(ethylene glycol) (PEG): average molecular mass 200, 400 and 2050 - PEG200 (liquid), PEG400 (liquid) and PEG2050 (solid), respectively; (iii) polar aromatic compounds: nicotine, aniline, phenolic acids (vanillic, ferulic and caffeic acid,), thymol and caffeine and (iv) non-polar aromatic compounds (benzene, toluene, p-xylene). In these studies, the effects of the cation and anion, cation alkyl chain and PEG chain lengths on the observed phase behaviors were scrutinized. Thus, one of the major observations is that the anion - bistriflamide/triflate - selection usually had strong, sometimes really remarkable effects on the solvent abilities of the studied ionic liquids. Namely, in the case of the hydrogen-bonding solutes, the ionic liquids with the triflate anion generally exhibited substantially higher solubility than those having the bistriflamide anion. Nevertheless, with the aromatic compounds the situation was the opposite - in most of the cases it was the bistriflamide anion that favoured solubility. Moreover, our other studies confirmed the ability of PEG to dissolve both polar and non-polar aromatic compounds. Therefore, two general possibilities of application of alternative, environmentally acceptable, solvents of tuneable solvent properties appeared. One is to use homogeneous mixtures of two ionic liquids having [NTf2](-) and [OTf](-) anions as mixed solvents. The other, however, envisages the application of homogeneous and heterogeneous (PEG + ionic liquid) solutions as tuneable solvents for aromatic solutes. Such mixed solvents have potential applications in separation of the aforesaid target molecules from their aqueous solutions or in extraction from original matrices. From the fundamental point of view the phase equilibrium studies reviewed herein and the diversity of the pure compounds - ionic liquids and target molecules - represent a good base for the discussion of interactions between the molecules that exist in the studied solutions.",
publisher = "Elsevier, Amsterdam",
journal = "Arabian Journal of Chemistry",
title = "Solutions of ionic liquids with diverse aliphatic and aromatic solutes - Phase behavior and potentials for applications: A review article",
pages = "1640-1628",
number = "7",
volume = "12",
doi = "10.1016/j.arabjc.2014.10.003"
}
Višak, Z. P., Calado, M. S., Vuksanović, J., Ivaniš, G., Branco, A. S. H., Grozdanić, N., Kijevčanin, M.,& Šerbanović, S. P.. (2019). Solutions of ionic liquids with diverse aliphatic and aromatic solutes - Phase behavior and potentials for applications: A review article. in Arabian Journal of Chemistry
Elsevier, Amsterdam., 12(7), 1628-1640.
https://doi.org/10.1016/j.arabjc.2014.10.003
Višak ZP, Calado MS, Vuksanović J, Ivaniš G, Branco ASH, Grozdanić N, Kijevčanin M, Šerbanović SP. Solutions of ionic liquids with diverse aliphatic and aromatic solutes - Phase behavior and potentials for applications: A review article. in Arabian Journal of Chemistry. 2019;12(7):1628-1640.
doi:10.1016/j.arabjc.2014.10.003 .
Višak, Zoran P., Calado, Marta S., Vuksanović, Jelena, Ivaniš, Gorica, Branco, Adriana S. H., Grozdanić, Nikola, Kijevčanin, Mirjana, Šerbanović, Slobodan P., "Solutions of ionic liquids with diverse aliphatic and aromatic solutes - Phase behavior and potentials for applications: A review article" in Arabian Journal of Chemistry, 12, no. 7 (2019):1628-1640,
https://doi.org/10.1016/j.arabjc.2014.10.003 . .
15
7
14

Effect of water addition on extraction ability of eutectic solvent choline chloride+1,2-propanediol for separation of hexane/heptane plus ethanol systems

Vuksanović, Jelena; Kijevčanin, Mirjana; Radović, Ivona

(Korean Institute Chemical Engineers, Seoul, 2018)

TY  - JOUR
AU  - Vuksanović, Jelena
AU  - Kijevčanin, Mirjana
AU  - Radović, Ivona
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3864
AB  - The ability of binary deep eutectic solvent choline chloride+1,2-propanediol (DES1; 1 : 3 mole ratio) and ternary deep eutectic solvent choline chloride+1,2-propanediol+water (DES2; 1 : 3 : 3 mole ratio) for breaking the azeotropes hexane/heptane+ethanol by means of liquid-liquid extraction was evaluated. Liquid-liquid equilibrium experiments were performed at 298.15 K, at atmospheric pressure, and data were correlated by NRTL and UNIQUAC models. Thermodynamic properties (density, viscosity, refractive index and speed of sound) of DES1 and DES2 were determined in temperature range from 288.15 K to 333.15 K and at atmospheric pressure. Extraction ability of the investigated eutectics yielded promising results in comparison with conventional solvents. Besides a high selectivity towards ethanol, an advantage of DES2 is its lower viscosity and higher distribution ratio values, which is an important aspect for a potential industrial application. Another advantage of both investigated eutectics is their easy and high recoverability from the extract layer based on their negligible vapor pressure.
PB  - Korean Institute Chemical  Engineers, Seoul
T2  - Korean Journal of Chemical Engineering
T1  - Effect of water addition on extraction ability of eutectic solvent choline chloride+1,2-propanediol for separation of hexane/heptane plus ethanol systems
EP  - 1487
IS  - 7
SP  - 1477
VL  - 35
DO  - 10.1007/s11814-018-0030-z
ER  - 
@article{
author = "Vuksanović, Jelena and Kijevčanin, Mirjana and Radović, Ivona",
year = "2018",
abstract = "The ability of binary deep eutectic solvent choline chloride+1,2-propanediol (DES1; 1 : 3 mole ratio) and ternary deep eutectic solvent choline chloride+1,2-propanediol+water (DES2; 1 : 3 : 3 mole ratio) for breaking the azeotropes hexane/heptane+ethanol by means of liquid-liquid extraction was evaluated. Liquid-liquid equilibrium experiments were performed at 298.15 K, at atmospheric pressure, and data were correlated by NRTL and UNIQUAC models. Thermodynamic properties (density, viscosity, refractive index and speed of sound) of DES1 and DES2 were determined in temperature range from 288.15 K to 333.15 K and at atmospheric pressure. Extraction ability of the investigated eutectics yielded promising results in comparison with conventional solvents. Besides a high selectivity towards ethanol, an advantage of DES2 is its lower viscosity and higher distribution ratio values, which is an important aspect for a potential industrial application. Another advantage of both investigated eutectics is their easy and high recoverability from the extract layer based on their negligible vapor pressure.",
publisher = "Korean Institute Chemical  Engineers, Seoul",
journal = "Korean Journal of Chemical Engineering",
title = "Effect of water addition on extraction ability of eutectic solvent choline chloride+1,2-propanediol for separation of hexane/heptane plus ethanol systems",
pages = "1487-1477",
number = "7",
volume = "35",
doi = "10.1007/s11814-018-0030-z"
}
Vuksanović, J., Kijevčanin, M.,& Radović, I.. (2018). Effect of water addition on extraction ability of eutectic solvent choline chloride+1,2-propanediol for separation of hexane/heptane plus ethanol systems. in Korean Journal of Chemical Engineering
Korean Institute Chemical  Engineers, Seoul., 35(7), 1477-1487.
https://doi.org/10.1007/s11814-018-0030-z
Vuksanović J, Kijevčanin M, Radović I. Effect of water addition on extraction ability of eutectic solvent choline chloride+1,2-propanediol for separation of hexane/heptane plus ethanol systems. in Korean Journal of Chemical Engineering. 2018;35(7):1477-1487.
doi:10.1007/s11814-018-0030-z .
Vuksanović, Jelena, Kijevčanin, Mirjana, Radović, Ivona, "Effect of water addition on extraction ability of eutectic solvent choline chloride+1,2-propanediol for separation of hexane/heptane plus ethanol systems" in Korean Journal of Chemical Engineering, 35, no. 7 (2018):1477-1487,
https://doi.org/10.1007/s11814-018-0030-z . .
21
13
20

Poly(ethylene glycol) diacrylate as a novel chaotropic compound for design of aqueous biphasic systems

Vuksanović, Jelena; Kijevčanin, Mirjana; Radović, Ivona

(Elsevier Science Bv, Amsterdam, 2018)

TY  - JOUR
AU  - Vuksanović, Jelena
AU  - Kijevčanin, Mirjana
AU  - Radović, Ivona
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3872
AB  - In this work novel solvent, poly(ethylene glycol) diacrylate (PEGDA) of average number molecular weight 700, is proposed for design of aqueous biphasic systems with salting-out agents: K3PO4/Na3C6H5O7/K2CO3/MnSO4/Li2SO4/ZnSO4. Ternary liquid-liquid equilibrium experiments were conducted at constant temperature 298.15 K and 0.1 MPa, where binodal curves and tie-lines were determined. The consistency of equilibrium data were checked and confirmed using Othmer-Tobias and Bancroft equations. Density rho, viscosity eta and refractive index n(D) have been experimentally measured for PEGDA 700 + water system over the temperature range T = (293.15 to 323.15) K with temperature step 5 K and at atmospheric pressure. Excess molar volumes V-E, viscosity deviations Delta eta, deviations in refractive index Delta n(D), excess Gibbs free energy of activation of viscous flow Delta G*(E), partial molar volumes (V) over bar (i), excess partial molar volumes (V) over bar (E)(i) and it's values at infinite dilutions (V) over bar (E,infinity)(i) were calculated from experimental data and used to analyze non-ideal behavior of polymer aqueous solution. Fourier-transform infrared analysis (FT-IR) of PEGDA + water mixture and corresponding pure components was performed at T = 298.15 K in order to gain insight into the molecular structure of the mixture. FT-IR analysis indicates the absence of hydrogen bonding between PEGDA 700 and water. This leads to the conclusion that non-ideal behavior of mixture is contributed to geometrical packing or van der Waals forces of different species.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Liquids
T1  - Poly(ethylene glycol) diacrylate as a novel chaotropic compound for design of aqueous biphasic systems
EP  - 264
SP  - 250
VL  - 261
DO  - 10.1016/j.molliq.2018.04.023
ER  - 
@article{
author = "Vuksanović, Jelena and Kijevčanin, Mirjana and Radović, Ivona",
year = "2018",
abstract = "In this work novel solvent, poly(ethylene glycol) diacrylate (PEGDA) of average number molecular weight 700, is proposed for design of aqueous biphasic systems with salting-out agents: K3PO4/Na3C6H5O7/K2CO3/MnSO4/Li2SO4/ZnSO4. Ternary liquid-liquid equilibrium experiments were conducted at constant temperature 298.15 K and 0.1 MPa, where binodal curves and tie-lines were determined. The consistency of equilibrium data were checked and confirmed using Othmer-Tobias and Bancroft equations. Density rho, viscosity eta and refractive index n(D) have been experimentally measured for PEGDA 700 + water system over the temperature range T = (293.15 to 323.15) K with temperature step 5 K and at atmospheric pressure. Excess molar volumes V-E, viscosity deviations Delta eta, deviations in refractive index Delta n(D), excess Gibbs free energy of activation of viscous flow Delta G*(E), partial molar volumes (V) over bar (i), excess partial molar volumes (V) over bar (E)(i) and it's values at infinite dilutions (V) over bar (E,infinity)(i) were calculated from experimental data and used to analyze non-ideal behavior of polymer aqueous solution. Fourier-transform infrared analysis (FT-IR) of PEGDA + water mixture and corresponding pure components was performed at T = 298.15 K in order to gain insight into the molecular structure of the mixture. FT-IR analysis indicates the absence of hydrogen bonding between PEGDA 700 and water. This leads to the conclusion that non-ideal behavior of mixture is contributed to geometrical packing or van der Waals forces of different species.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Liquids",
title = "Poly(ethylene glycol) diacrylate as a novel chaotropic compound for design of aqueous biphasic systems",
pages = "264-250",
volume = "261",
doi = "10.1016/j.molliq.2018.04.023"
}
Vuksanović, J., Kijevčanin, M.,& Radović, I.. (2018). Poly(ethylene glycol) diacrylate as a novel chaotropic compound for design of aqueous biphasic systems. in Journal of Molecular Liquids
Elsevier Science Bv, Amsterdam., 261, 250-264.
https://doi.org/10.1016/j.molliq.2018.04.023
Vuksanović J, Kijevčanin M, Radović I. Poly(ethylene glycol) diacrylate as a novel chaotropic compound for design of aqueous biphasic systems. in Journal of Molecular Liquids. 2018;261:250-264.
doi:10.1016/j.molliq.2018.04.023 .
Vuksanović, Jelena, Kijevčanin, Mirjana, Radović, Ivona, "Poly(ethylene glycol) diacrylate as a novel chaotropic compound for design of aqueous biphasic systems" in Journal of Molecular Liquids, 261 (2018):250-264,
https://doi.org/10.1016/j.molliq.2018.04.023 . .
12
2
10

A systematic study on volumetric and transport properties of binary systems 1-propanol + n-hexadecane, 1-butanol + n-hexadecane and 1-propanol + ethyl oleate at different temperatures: Experimental and modeling

Aissa, Mohamed A.; Radović, Ivona; Kijevčanin, Mirjana

(Elsevier, Amsterdam, 2018)

TY  - JOUR
AU  - Aissa, Mohamed A.
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3876
AB  - Densities (rho), viscosities (eta), speed of sounds (u) and refractive indices (n(D)) at temperature range (293.15-343.15) K with 5 K interval, for three binary mixtures (1-propanol + n-hexadecane, 1-butanol + n-hexadecane and 1-propanol + ethyl oleate), were measured at atmospheric pressure. Based on the corresponding experimental data, excess molar volume (V-E), viscosity deviation (Delta eta) and deviation in refractive index (Delta n(D)) have been calculated. Beside these properties, molar excess Gibbs free energies of activation of viscous flow (Delta*G(E)) and deviation in isentropic compressibility (Delta k(s)) were calculated from measured density, viscosity and speed of sound data. The excess/deviation functions have been fitted by Redlich-Kister equation and discussed in terms of molecular interactions existing in the mixtures. Viscosity modeling was performed using four models: UNIFAC-VISCO, ASOG-VISCO, Teja-Rice and McAllister. Experimental viscosity data have been used to determine new binary UNIFAC-VISCO and ASOG-VISCO interaction parameters and the interaction parameters for correlation models by applying some optimization technique. For all systems, positive deviations were observed for the excess molar volumes in the whole concentration range. A negative deviation and an inversion sign for the excess dynamic viscosity were observed in the systems of 1-butanol + n-hexadecane and 1-propanol + n-hexadecane, respectively, while positive deviation was observed for 1-propanol + ethyl oleate mixture. The results of viscosity modeling showed that four-body McAllister models are suitable to describe viscosities for all systems and temperatures with maximum percentage deviations (PDmax) less than 0.5%.
PB  - Elsevier, Amsterdam
T2  - Fluid Phase Equilibria
T1  - A systematic study on volumetric and transport properties of binary systems 1-propanol + n-hexadecane, 1-butanol + n-hexadecane and 1-propanol + ethyl oleate at different temperatures: Experimental and modeling
EP  - 16
SP  - 1
VL  - 473
DO  - 10.1016/j.fluid.2018.05.028
ER  - 
@article{
author = "Aissa, Mohamed A. and Radović, Ivona and Kijevčanin, Mirjana",
year = "2018",
abstract = "Densities (rho), viscosities (eta), speed of sounds (u) and refractive indices (n(D)) at temperature range (293.15-343.15) K with 5 K interval, for three binary mixtures (1-propanol + n-hexadecane, 1-butanol + n-hexadecane and 1-propanol + ethyl oleate), were measured at atmospheric pressure. Based on the corresponding experimental data, excess molar volume (V-E), viscosity deviation (Delta eta) and deviation in refractive index (Delta n(D)) have been calculated. Beside these properties, molar excess Gibbs free energies of activation of viscous flow (Delta*G(E)) and deviation in isentropic compressibility (Delta k(s)) were calculated from measured density, viscosity and speed of sound data. The excess/deviation functions have been fitted by Redlich-Kister equation and discussed in terms of molecular interactions existing in the mixtures. Viscosity modeling was performed using four models: UNIFAC-VISCO, ASOG-VISCO, Teja-Rice and McAllister. Experimental viscosity data have been used to determine new binary UNIFAC-VISCO and ASOG-VISCO interaction parameters and the interaction parameters for correlation models by applying some optimization technique. For all systems, positive deviations were observed for the excess molar volumes in the whole concentration range. A negative deviation and an inversion sign for the excess dynamic viscosity were observed in the systems of 1-butanol + n-hexadecane and 1-propanol + n-hexadecane, respectively, while positive deviation was observed for 1-propanol + ethyl oleate mixture. The results of viscosity modeling showed that four-body McAllister models are suitable to describe viscosities for all systems and temperatures with maximum percentage deviations (PDmax) less than 0.5%.",
publisher = "Elsevier, Amsterdam",
journal = "Fluid Phase Equilibria",
title = "A systematic study on volumetric and transport properties of binary systems 1-propanol + n-hexadecane, 1-butanol + n-hexadecane and 1-propanol + ethyl oleate at different temperatures: Experimental and modeling",
pages = "16-1",
volume = "473",
doi = "10.1016/j.fluid.2018.05.028"
}
Aissa, M. A., Radović, I.,& Kijevčanin, M.. (2018). A systematic study on volumetric and transport properties of binary systems 1-propanol + n-hexadecane, 1-butanol + n-hexadecane and 1-propanol + ethyl oleate at different temperatures: Experimental and modeling. in Fluid Phase Equilibria
Elsevier, Amsterdam., 473, 1-16.
https://doi.org/10.1016/j.fluid.2018.05.028
Aissa MA, Radović I, Kijevčanin M. A systematic study on volumetric and transport properties of binary systems 1-propanol + n-hexadecane, 1-butanol + n-hexadecane and 1-propanol + ethyl oleate at different temperatures: Experimental and modeling. in Fluid Phase Equilibria. 2018;473:1-16.
doi:10.1016/j.fluid.2018.05.028 .
Aissa, Mohamed A., Radović, Ivona, Kijevčanin, Mirjana, "A systematic study on volumetric and transport properties of binary systems 1-propanol + n-hexadecane, 1-butanol + n-hexadecane and 1-propanol + ethyl oleate at different temperatures: Experimental and modeling" in Fluid Phase Equilibria, 473 (2018):1-16,
https://doi.org/10.1016/j.fluid.2018.05.028 . .
11
7
11

Modelling of pure components high pressures densities using CK-SAFT and PC-SAFT equations

Ilić-Pajić, Jovana; Stijepović, Mirko; Ivaniš, Gorica; Radović, Ivona; Stajić-Trošić, Jasna; Kijevčanin, Mirjana

(Srpsko hemijsko društvo, Beograd, 2018)

TY  - JOUR
AU  - Ilić-Pajić, Jovana
AU  - Stijepović, Mirko
AU  - Ivaniš, Gorica
AU  - Radović, Ivona
AU  - Stajić-Trošić, Jasna
AU  - Kijevčanin, Mirjana
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4022
AB  - SAFT equations of state have been widely used for the determination of different thermo-physical and phase equilibria properties. In order to use these equations as predictive models it is necessary to calculate the model parameters. In this work CK-SAFT and PC-SAFT equations of state were applied for the correlation of pure compounds densities in the wide ranges of temperature and pressure (288.15-413.15 K and 0.1-60 MPa, respectively). The calculations of densities for n-hexane, n-heptane, n-octane, toluene, dichloromethane and ethanol, under high pressure conditions, were performed with the new sets of parameters determined in this paper by CK-SAFT and PC-SAFT. Very good agreement between experimental and calculated density values was achieved, having absolute average percentage deviations lower than 0.5 %.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Modelling of pure components high pressures densities using CK-SAFT and PC-SAFT equations
EP  - 343
IS  - 3
SP  - 331
VL  - 83
DO  - 10.2298/JSC170613096P
ER  - 
@article{
author = "Ilić-Pajić, Jovana and Stijepović, Mirko and Ivaniš, Gorica and Radović, Ivona and Stajić-Trošić, Jasna and Kijevčanin, Mirjana",
year = "2018",
abstract = "SAFT equations of state have been widely used for the determination of different thermo-physical and phase equilibria properties. In order to use these equations as predictive models it is necessary to calculate the model parameters. In this work CK-SAFT and PC-SAFT equations of state were applied for the correlation of pure compounds densities in the wide ranges of temperature and pressure (288.15-413.15 K and 0.1-60 MPa, respectively). The calculations of densities for n-hexane, n-heptane, n-octane, toluene, dichloromethane and ethanol, under high pressure conditions, were performed with the new sets of parameters determined in this paper by CK-SAFT and PC-SAFT. Very good agreement between experimental and calculated density values was achieved, having absolute average percentage deviations lower than 0.5 %.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Modelling of pure components high pressures densities using CK-SAFT and PC-SAFT equations",
pages = "343-331",
number = "3",
volume = "83",
doi = "10.2298/JSC170613096P"
}
Ilić-Pajić, J., Stijepović, M., Ivaniš, G., Radović, I., Stajić-Trošić, J.,& Kijevčanin, M.. (2018). Modelling of pure components high pressures densities using CK-SAFT and PC-SAFT equations. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 83(3), 331-343.
https://doi.org/10.2298/JSC170613096P
Ilić-Pajić J, Stijepović M, Ivaniš G, Radović I, Stajić-Trošić J, Kijevčanin M. Modelling of pure components high pressures densities using CK-SAFT and PC-SAFT equations. in Journal of the Serbian Chemical Society. 2018;83(3):331-343.
doi:10.2298/JSC170613096P .
Ilić-Pajić, Jovana, Stijepović, Mirko, Ivaniš, Gorica, Radović, Ivona, Stajić-Trošić, Jasna, Kijevčanin, Mirjana, "Modelling of pure components high pressures densities using CK-SAFT and PC-SAFT equations" in Journal of the Serbian Chemical Society, 83, no. 3 (2018):331-343,
https://doi.org/10.2298/JSC170613096P . .
1
1

Densities and Derived Volumetric Properties of Ionic Liquids with [Nf(2)] and [NTf2] Anions at High Pressures

Sas, Olalla G.; Ivaniš, Gorica; Kijevčanin, Mirjana; Gonzalez, Begona; Dominguez, Angeles; Radović, Ivona

(Amer Chemical Soc, Washington, 2018)

TY  - JOUR
AU  - Sas, Olalla G.
AU  - Ivaniš, Gorica
AU  - Kijevčanin, Mirjana
AU  - Gonzalez, Begona
AU  - Dominguez, Angeles
AU  - Radović, Ivona
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4034
AB  - The densities of four ionic liquids: 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)imide ([E(3)Mim][Nf(2)]), n-propyl-n-methylpyrrolidinium bis(fluorosulfonyl)imide ([PMpyr][Nf(2)]), 1-butyl-l-methylpyrrolidinium bis(fluorosulfonyl)imide ([BMpyr][Nf(2)]), and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonil)imide ([BMpyr][NTf2]) were measured at temperatures (293.15 to 413.15) K and pressures (0.1 to 60) MPa. The experimental density data were modeled using the modified Tammann-Tait equation and the average absolute percentage deviations between measured and calculated values for all studied ionic liquids were less than 0.004%. The optimized parameters were used to calculate the isothermal compressibility, the isobaric thermal expansivity, the internal pressure, and the difference between specific heat capacities at constant pressure and at constant volume. The cation and anion influences on the properties of the ionic liquids were examined. The longer alkyl chains on cations are related to lower density of ionic liquids and ionic liquids with imidazole based cation are denser than those with pyrrolidinium cation. The presence of more stabile [NTf2](-) anion in ionic liquids leads to greater densities comparing to [Nf(2)](-) anion.
PB  - Amer Chemical Soc, Washington
T2  - Journal of Chemical and Engineering Data
T1  - Densities and Derived Volumetric Properties of Ionic Liquids with [Nf(2)] and [NTf2] Anions at High Pressures
EP  - 964
IS  - 4
SP  - 954
VL  - 63
DO  - 10.1021/acs.jced.7b00771
ER  - 
@article{
author = "Sas, Olalla G. and Ivaniš, Gorica and Kijevčanin, Mirjana and Gonzalez, Begona and Dominguez, Angeles and Radović, Ivona",
year = "2018",
abstract = "The densities of four ionic liquids: 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)imide ([E(3)Mim][Nf(2)]), n-propyl-n-methylpyrrolidinium bis(fluorosulfonyl)imide ([PMpyr][Nf(2)]), 1-butyl-l-methylpyrrolidinium bis(fluorosulfonyl)imide ([BMpyr][Nf(2)]), and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonil)imide ([BMpyr][NTf2]) were measured at temperatures (293.15 to 413.15) K and pressures (0.1 to 60) MPa. The experimental density data were modeled using the modified Tammann-Tait equation and the average absolute percentage deviations between measured and calculated values for all studied ionic liquids were less than 0.004%. The optimized parameters were used to calculate the isothermal compressibility, the isobaric thermal expansivity, the internal pressure, and the difference between specific heat capacities at constant pressure and at constant volume. The cation and anion influences on the properties of the ionic liquids were examined. The longer alkyl chains on cations are related to lower density of ionic liquids and ionic liquids with imidazole based cation are denser than those with pyrrolidinium cation. The presence of more stabile [NTf2](-) anion in ionic liquids leads to greater densities comparing to [Nf(2)](-) anion.",
publisher = "Amer Chemical Soc, Washington",
journal = "Journal of Chemical and Engineering Data",
title = "Densities and Derived Volumetric Properties of Ionic Liquids with [Nf(2)] and [NTf2] Anions at High Pressures",
pages = "964-954",
number = "4",
volume = "63",
doi = "10.1021/acs.jced.7b00771"
}
Sas, O. G., Ivaniš, G., Kijevčanin, M., Gonzalez, B., Dominguez, A.,& Radović, I.. (2018). Densities and Derived Volumetric Properties of Ionic Liquids with [Nf(2)] and [NTf2] Anions at High Pressures. in Journal of Chemical and Engineering Data
Amer Chemical Soc, Washington., 63(4), 954-964.
https://doi.org/10.1021/acs.jced.7b00771
Sas OG, Ivaniš G, Kijevčanin M, Gonzalez B, Dominguez A, Radović I. Densities and Derived Volumetric Properties of Ionic Liquids with [Nf(2)] and [NTf2] Anions at High Pressures. in Journal of Chemical and Engineering Data. 2018;63(4):954-964.
doi:10.1021/acs.jced.7b00771 .
Sas, Olalla G., Ivaniš, Gorica, Kijevčanin, Mirjana, Gonzalez, Begona, Dominguez, Angeles, Radović, Ivona, "Densities and Derived Volumetric Properties of Ionic Liquids with [Nf(2)] and [NTf2] Anions at High Pressures" in Journal of Chemical and Engineering Data, 63, no. 4 (2018):954-964,
https://doi.org/10.1021/acs.jced.7b00771 . .
22
11
21

Volumetric and transport properties of binary liquid mixtures with 1-ethyl-3-methylimidazolium ethyl sulfate as candidate solvents for regenerative flue gas desulfurization processes

Živković, Emila; Živković, Nikola V.; Majstorović, Divna; Stanimirović, Andrej M.; Kijevčanin, Mirjana

(Academic Press Ltd- Elsevier Science Ltd, London, 2018)

TY  - JOUR
AU  - Živković, Emila
AU  - Živković, Nikola V.
AU  - Majstorović, Divna
AU  - Stanimirović, Andrej M.
AU  - Kijevčanin, Mirjana
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3981
AB  - This paper presents novel data on density, viscosity and refractive index of four binary mixtures constituted of ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate and N-methyl-2-pyrrolidone/or 1-hexanol/or liquid polyethylene glycols with molar mass 200/or 400, in the temperature range from T = 288.15 K to 333.15 K and at pressure of p =.1 MPa. Thermal conductivity has been measured for mixtures of ionic liquid and polyethylene glycol 200/or polyethylene glycol 400 in the temperature range from T = 303.15 to 323.15 K and at a pressure of p =.1 MPa. All these solutions have the potential for application in regenerative flue gas desulfurization processes. From experimental values of densities, viscosities, thermal conductivities and refractive indices, excess molar volumes and deviations in viscosity, thermal conductivity and refractive index have been calculated and correlated with Redlich-Kister polynomial equation. The values of excess and deviation functions were used for analysis of molecular interactions present in the investigated solutions. In addition, modeling of transport properties, viscosity and thermal conductivity, was carried out and the obtained results were interpreted taking into account the applied approaches and models.
PB  - Academic Press Ltd- Elsevier Science Ltd, London
T2  - Journal of Chemical Thermodynamics
T1  - Volumetric and transport properties of binary liquid mixtures with 1-ethyl-3-methylimidazolium ethyl sulfate as candidate solvents for regenerative flue gas desulfurization processes
EP  - 154
SP  - 135
VL  - 119
DO  - 10.1016/j.jct.2017.12.023
ER  - 
@article{
author = "Živković, Emila and Živković, Nikola V. and Majstorović, Divna and Stanimirović, Andrej M. and Kijevčanin, Mirjana",
year = "2018",
abstract = "This paper presents novel data on density, viscosity and refractive index of four binary mixtures constituted of ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate and N-methyl-2-pyrrolidone/or 1-hexanol/or liquid polyethylene glycols with molar mass 200/or 400, in the temperature range from T = 288.15 K to 333.15 K and at pressure of p =.1 MPa. Thermal conductivity has been measured for mixtures of ionic liquid and polyethylene glycol 200/or polyethylene glycol 400 in the temperature range from T = 303.15 to 323.15 K and at a pressure of p =.1 MPa. All these solutions have the potential for application in regenerative flue gas desulfurization processes. From experimental values of densities, viscosities, thermal conductivities and refractive indices, excess molar volumes and deviations in viscosity, thermal conductivity and refractive index have been calculated and correlated with Redlich-Kister polynomial equation. The values of excess and deviation functions were used for analysis of molecular interactions present in the investigated solutions. In addition, modeling of transport properties, viscosity and thermal conductivity, was carried out and the obtained results were interpreted taking into account the applied approaches and models.",
publisher = "Academic Press Ltd- Elsevier Science Ltd, London",
journal = "Journal of Chemical Thermodynamics",
title = "Volumetric and transport properties of binary liquid mixtures with 1-ethyl-3-methylimidazolium ethyl sulfate as candidate solvents for regenerative flue gas desulfurization processes",
pages = "154-135",
volume = "119",
doi = "10.1016/j.jct.2017.12.023"
}
Živković, E., Živković, N. V., Majstorović, D., Stanimirović, A. M.,& Kijevčanin, M.. (2018). Volumetric and transport properties of binary liquid mixtures with 1-ethyl-3-methylimidazolium ethyl sulfate as candidate solvents for regenerative flue gas desulfurization processes. in Journal of Chemical Thermodynamics
Academic Press Ltd- Elsevier Science Ltd, London., 119, 135-154.
https://doi.org/10.1016/j.jct.2017.12.023
Živković E, Živković NV, Majstorović D, Stanimirović AM, Kijevčanin M. Volumetric and transport properties of binary liquid mixtures with 1-ethyl-3-methylimidazolium ethyl sulfate as candidate solvents for regenerative flue gas desulfurization processes. in Journal of Chemical Thermodynamics. 2018;119:135-154.
doi:10.1016/j.jct.2017.12.023 .
Živković, Emila, Živković, Nikola V., Majstorović, Divna, Stanimirović, Andrej M., Kijevčanin, Mirjana, "Volumetric and transport properties of binary liquid mixtures with 1-ethyl-3-methylimidazolium ethyl sulfate as candidate solvents for regenerative flue gas desulfurization processes" in Journal of Chemical Thermodynamics, 119 (2018):135-154,
https://doi.org/10.1016/j.jct.2017.12.023 . .
21
14
21

The friction theory for estimating viscosity of candidate solvents for flue gas desulfurization processes

Jovanović, Jovan; Majstorović, Divna; Živković, Nikola V.; Kijevčanin, Mirjana; Živković, Emila

(Elsevier Science Bv, Amsterdam, 2018)

TY  - JOUR
AU  - Jovanović, Jovan
AU  - Majstorović, Divna
AU  - Živković, Nikola V.
AU  - Kijevčanin, Mirjana
AU  - Živković, Emila
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3901
AB  - In this study, applicability of the friction theory for the viscosity estimation of pure substances and binary liquid mixtures, used in regenerative flue gas desulphurization processes, was investigated. Theory was tested on the selected solvents that have already found commercial application, tetraethylene glycol dimethyl ether, n-methyl-2-pyrrolidone and n,n-dimethylaniline, in mixtures with alcohols 1-butanol, 2-butanol or 1-hexanol. The results were compared with experimental viscosity data for eleven systems. In the calculation procedure, friction theory was coupled both with the Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state (EoS). Almost identical deviations, under 02% with both EoS, were obtained for pure compounds. For viscosity of mixtures, in almost all cases, better results were obtained using PR EoS, with values of percentage deviations less than 4%. Additionally, the possibility of simultaneous density calculations was checked and the obtained values were compared with experimental data. Application of this model for viscosity modeling of the investigated systems was justified by comparison of the obtained results with other commonly used predictive models, UNIFAC-VISCO and ASOG-VISCO.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Liquids
T1  - The friction theory for estimating viscosity of candidate solvents for flue gas desulfurization processes
EP  - 703
SP  - 696
VL  - 271
DO  - 10.1016/j.molliq.2018.09.043
ER  - 
@article{
author = "Jovanović, Jovan and Majstorović, Divna and Živković, Nikola V. and Kijevčanin, Mirjana and Živković, Emila",
year = "2018",
abstract = "In this study, applicability of the friction theory for the viscosity estimation of pure substances and binary liquid mixtures, used in regenerative flue gas desulphurization processes, was investigated. Theory was tested on the selected solvents that have already found commercial application, tetraethylene glycol dimethyl ether, n-methyl-2-pyrrolidone and n,n-dimethylaniline, in mixtures with alcohols 1-butanol, 2-butanol or 1-hexanol. The results were compared with experimental viscosity data for eleven systems. In the calculation procedure, friction theory was coupled both with the Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) equations of state (EoS). Almost identical deviations, under 02% with both EoS, were obtained for pure compounds. For viscosity of mixtures, in almost all cases, better results were obtained using PR EoS, with values of percentage deviations less than 4%. Additionally, the possibility of simultaneous density calculations was checked and the obtained values were compared with experimental data. Application of this model for viscosity modeling of the investigated systems was justified by comparison of the obtained results with other commonly used predictive models, UNIFAC-VISCO and ASOG-VISCO.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Liquids",
title = "The friction theory for estimating viscosity of candidate solvents for flue gas desulfurization processes",
pages = "703-696",
volume = "271",
doi = "10.1016/j.molliq.2018.09.043"
}
Jovanović, J., Majstorović, D., Živković, N. V., Kijevčanin, M.,& Živković, E.. (2018). The friction theory for estimating viscosity of candidate solvents for flue gas desulfurization processes. in Journal of Molecular Liquids
Elsevier Science Bv, Amsterdam., 271, 696-703.
https://doi.org/10.1016/j.molliq.2018.09.043
Jovanović J, Majstorović D, Živković NV, Kijevčanin M, Živković E. The friction theory for estimating viscosity of candidate solvents for flue gas desulfurization processes. in Journal of Molecular Liquids. 2018;271:696-703.
doi:10.1016/j.molliq.2018.09.043 .
Jovanović, Jovan, Majstorović, Divna, Živković, Nikola V., Kijevčanin, Mirjana, Živković, Emila, "The friction theory for estimating viscosity of candidate solvents for flue gas desulfurization processes" in Journal of Molecular Liquids, 271 (2018):696-703,
https://doi.org/10.1016/j.molliq.2018.09.043 . .
1
1

Modeling a Reaction Section of a Commercial Continuous Catalytic Reformer

Polovina, Sasa; Vojtech, Merva; Dejanović, Igor; Grujić, Aleksandar; Stijepović, Mirko

(Amer Chemical Soc, Washington, 2018)

TY  - JOUR
AU  - Polovina, Sasa
AU  - Vojtech, Merva
AU  - Dejanović, Igor
AU  - Grujić, Aleksandar
AU  - Stijepović, Mirko
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4001
AB  - Continuous catalytic reforming (CCR) is known to convert refinery naphtha to a high-octane liquid product, also known as the reformate. In this paper, a First Principle Reaction Section Model for a CCR process is presented. Even though CCR is a well-established technology, the application of advanced, real-time optimization techniques that are able to quickly respond to any imposed changes onto the process, are necessary in the refinery business. This becomes particularly important as a result of changes in profit margin, changes in operating cost, and the introduction of new environmental legislations. Hence, we present a kinetic model for the CCR process using the so-called "lumped" concept. The reactors have been modeled using a quasi-steady-state approach. The unknown model parameters have been estimated by bench marking the First Principle Reaction Section results with a commercial CCR process owned by the Hungarian Oil and Gas Public Limited Company (INA-MOL). The proposed model has been tested and compared to data obtained from an existing CCR plant. The predictions of the model were found to be in good agreement with the experimental data. The relative absolute errors between the measured and model estimated variables have been found to be lower than 2%. The relative absolute error associated with the required fired heater duties were less than 1.0%. Simulating the reaction section of the CCR process requires less than 0.1 s of CPU time, which clearly indicates that this model can be very suitable for performing optimization studies. Moreover, this study shows that, although there is fluctuation in the composition of feedstock, the lumped kinetic approach was capable to predict the behavior of the CCR process well.
PB  - Amer Chemical Soc, Washington
T2  - Energy & Fuels
T1  - Modeling a Reaction Section of a Commercial Continuous Catalytic Reformer
EP  - 6396
IS  - 5
SP  - 6378
VL  - 32
DO  - 10.1021/acs.energyfuels.7b03897
ER  - 
@article{
author = "Polovina, Sasa and Vojtech, Merva and Dejanović, Igor and Grujić, Aleksandar and Stijepović, Mirko",
year = "2018",
abstract = "Continuous catalytic reforming (CCR) is known to convert refinery naphtha to a high-octane liquid product, also known as the reformate. In this paper, a First Principle Reaction Section Model for a CCR process is presented. Even though CCR is a well-established technology, the application of advanced, real-time optimization techniques that are able to quickly respond to any imposed changes onto the process, are necessary in the refinery business. This becomes particularly important as a result of changes in profit margin, changes in operating cost, and the introduction of new environmental legislations. Hence, we present a kinetic model for the CCR process using the so-called "lumped" concept. The reactors have been modeled using a quasi-steady-state approach. The unknown model parameters have been estimated by bench marking the First Principle Reaction Section results with a commercial CCR process owned by the Hungarian Oil and Gas Public Limited Company (INA-MOL). The proposed model has been tested and compared to data obtained from an existing CCR plant. The predictions of the model were found to be in good agreement with the experimental data. The relative absolute errors between the measured and model estimated variables have been found to be lower than 2%. The relative absolute error associated with the required fired heater duties were less than 1.0%. Simulating the reaction section of the CCR process requires less than 0.1 s of CPU time, which clearly indicates that this model can be very suitable for performing optimization studies. Moreover, this study shows that, although there is fluctuation in the composition of feedstock, the lumped kinetic approach was capable to predict the behavior of the CCR process well.",
publisher = "Amer Chemical Soc, Washington",
journal = "Energy & Fuels",
title = "Modeling a Reaction Section of a Commercial Continuous Catalytic Reformer",
pages = "6396-6378",
number = "5",
volume = "32",
doi = "10.1021/acs.energyfuels.7b03897"
}
Polovina, S., Vojtech, M., Dejanović, I., Grujić, A.,& Stijepović, M.. (2018). Modeling a Reaction Section of a Commercial Continuous Catalytic Reformer. in Energy & Fuels
Amer Chemical Soc, Washington., 32(5), 6378-6396.
https://doi.org/10.1021/acs.energyfuels.7b03897
Polovina S, Vojtech M, Dejanović I, Grujić A, Stijepović M. Modeling a Reaction Section of a Commercial Continuous Catalytic Reformer. in Energy & Fuels. 2018;32(5):6378-6396.
doi:10.1021/acs.energyfuels.7b03897 .
Polovina, Sasa, Vojtech, Merva, Dejanović, Igor, Grujić, Aleksandar, Stijepović, Mirko, "Modeling a Reaction Section of a Commercial Continuous Catalytic Reformer" in Energy & Fuels, 32, no. 5 (2018):6378-6396,
https://doi.org/10.1021/acs.energyfuels.7b03897 . .
12
6
12

High pressure densities and derived thermodynamic properties for the (n-heptane plus n-octane plus ethanol) ternary system

Abdussalam, Ali A.; Radović, Ivona; Ivaniš, Gorica; Kijevčanin, Mirjana

(Academic Press Ltd- Elsevier Science Ltd, London, 2017)

TY  - JOUR
AU  - Abdussalam, Ali A.
AU  - Radović, Ivona
AU  - Ivaniš, Gorica
AU  - Kijevčanin, Mirjana
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3737
AB  - The density of the ternary system (n-heptane + n-octane + ethanol) at temperatures from (293.15 to 373.15) K and at pressures from (0.1 to 40) MPa was experimentally determined at twelve compositions and the results are presented here. Measurements were performed using high pressure U-tube cell DMA HP coupled with DMA 5000 vibrating density meter. To fit the experimental density values the modified Tammann-Tait equation was applied. Excess molar volumes were also calculated at all pressures and temperatures in order to explain to what extent the investigated mixtures deviate from ideal behaviour. Moreover, the influence of pressure and temperature on density was studied by calculating isothermal compressibility and isobaric thermal expansion coefficient. It was found that non-ideal behaviour of the ternary mixture is strongly influenced by pressure and temperature conditions.
PB  - Academic Press Ltd- Elsevier Science Ltd, London
T2  - Journal of Chemical Thermodynamics
T1  - High pressure densities and derived thermodynamic properties for the (n-heptane plus n-octane plus ethanol) ternary system
EP  - 99
SP  - 91
VL  - 109
DO  - 10.1016/j.jct.2016.11.005
ER  - 
@article{
author = "Abdussalam, Ali A. and Radović, Ivona and Ivaniš, Gorica and Kijevčanin, Mirjana",
year = "2017",
abstract = "The density of the ternary system (n-heptane + n-octane + ethanol) at temperatures from (293.15 to 373.15) K and at pressures from (0.1 to 40) MPa was experimentally determined at twelve compositions and the results are presented here. Measurements were performed using high pressure U-tube cell DMA HP coupled with DMA 5000 vibrating density meter. To fit the experimental density values the modified Tammann-Tait equation was applied. Excess molar volumes were also calculated at all pressures and temperatures in order to explain to what extent the investigated mixtures deviate from ideal behaviour. Moreover, the influence of pressure and temperature on density was studied by calculating isothermal compressibility and isobaric thermal expansion coefficient. It was found that non-ideal behaviour of the ternary mixture is strongly influenced by pressure and temperature conditions.",
publisher = "Academic Press Ltd- Elsevier Science Ltd, London",
journal = "Journal of Chemical Thermodynamics",
title = "High pressure densities and derived thermodynamic properties for the (n-heptane plus n-octane plus ethanol) ternary system",
pages = "99-91",
volume = "109",
doi = "10.1016/j.jct.2016.11.005"
}
Abdussalam, A. A., Radović, I., Ivaniš, G.,& Kijevčanin, M.. (2017). High pressure densities and derived thermodynamic properties for the (n-heptane plus n-octane plus ethanol) ternary system. in Journal of Chemical Thermodynamics
Academic Press Ltd- Elsevier Science Ltd, London., 109, 91-99.
https://doi.org/10.1016/j.jct.2016.11.005
Abdussalam AA, Radović I, Ivaniš G, Kijevčanin M. High pressure densities and derived thermodynamic properties for the (n-heptane plus n-octane plus ethanol) ternary system. in Journal of Chemical Thermodynamics. 2017;109:91-99.
doi:10.1016/j.jct.2016.11.005 .
Abdussalam, Ali A., Radović, Ivona, Ivaniš, Gorica, Kijevčanin, Mirjana, "High pressure densities and derived thermodynamic properties for the (n-heptane plus n-octane plus ethanol) ternary system" in Journal of Chemical Thermodynamics, 109 (2017):91-99,
https://doi.org/10.1016/j.jct.2016.11.005 . .
3
2
3

Experimental measuring and modelling of thermodynamic properties of multicomponent liquid mixtures of esters and alcohols present in vine production.

Majstorović, Divna

(Univerzitet u Beogradu, Tehnološko-metalurški fakultet, 2017)

TY  - THES
AU  - Majstorović, Divna
PY  - 2017
UR  - http://eteze.bg.ac.rs/application/showtheses?thesesId=5049
UR  - https://fedorabg.bg.ac.rs/fedora/get/o:15768/bdef:Content/download
UR  - http://vbs.rs/scripts/cobiss?command=DISPLAY&base=70036&RID=48974095
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4657
AB  - The theoretical significance of the study of thermodynamic properties of liquid mixtures is reflected in the expansion of the database due to new experimental values, and deepening of knowledge in the theory of solution. Systems included in this study are containing industrially important components: esters and alcohols. Thermodynamic and thermophysical studies of esters are of increasing interest due to their wide usage in flavoring, perfumery, artificial essences, and generally in food and cosmetic industry, while alcohols are the most commonly used industrial solvents...
AB  - Teorijski značaj istraživanja termodinamičkih svojstava tečnih smeša se ogleda u proširivanju baze podataka novim eksperimentalnim vrednostima i produbljivanju znanja iz teorije rastvora. U ovom istraživanju obuhvaćeni su sistemi koji sadrže industrijski važne komponente: estre i alkohole. Termodinamička i termofizička istraživanja estara su od velikog značaja zbog njihove široke primene kao veštačkih aroma, mirisa, i uopšte u industriji hrane i kozmetike, dok su alkoholi najčešće korišćeni rastvarači u industriji...
PB  - Univerzitet u Beogradu, Tehnološko-metalurški fakultet
T1  - Experimental measuring and modelling of thermodynamic properties of multicomponent liquid mixtures of esters and alcohols present in vine production.
T1  - Eksperimentalno određivanje i modelovanje termodinamičkih svojstava višekomponentnih tečnih smeša estara i alkohola prisutnih u proizvodnji vina
UR  - https://hdl.handle.net/21.15107/rcub_technorep_4657
ER  - 
@phdthesis{
author = "Majstorović, Divna",
year = "2017",
abstract = "The theoretical significance of the study of thermodynamic properties of liquid mixtures is reflected in the expansion of the database due to new experimental values, and deepening of knowledge in the theory of solution. Systems included in this study are containing industrially important components: esters and alcohols. Thermodynamic and thermophysical studies of esters are of increasing interest due to their wide usage in flavoring, perfumery, artificial essences, and generally in food and cosmetic industry, while alcohols are the most commonly used industrial solvents..., Teorijski značaj istraživanja termodinamičkih svojstava tečnih smeša se ogleda u proširivanju baze podataka novim eksperimentalnim vrednostima i produbljivanju znanja iz teorije rastvora. U ovom istraživanju obuhvaćeni su sistemi koji sadrže industrijski važne komponente: estre i alkohole. Termodinamička i termofizička istraživanja estara su od velikog značaja zbog njihove široke primene kao veštačkih aroma, mirisa, i uopšte u industriji hrane i kozmetike, dok su alkoholi najčešće korišćeni rastvarači u industriji...",
publisher = "Univerzitet u Beogradu, Tehnološko-metalurški fakultet",
title = "Experimental measuring and modelling of thermodynamic properties of multicomponent liquid mixtures of esters and alcohols present in vine production., Eksperimentalno određivanje i modelovanje termodinamičkih svojstava višekomponentnih tečnih smeša estara i alkohola prisutnih u proizvodnji vina",
url = "https://hdl.handle.net/21.15107/rcub_technorep_4657"
}
Majstorović, D.. (2017). Experimental measuring and modelling of thermodynamic properties of multicomponent liquid mixtures of esters and alcohols present in vine production.. 
Univerzitet u Beogradu, Tehnološko-metalurški fakultet..
https://hdl.handle.net/21.15107/rcub_technorep_4657
Majstorović D. Experimental measuring and modelling of thermodynamic properties of multicomponent liquid mixtures of esters and alcohols present in vine production.. 2017;.
https://hdl.handle.net/21.15107/rcub_technorep_4657 .
Majstorović, Divna, "Experimental measuring and modelling of thermodynamic properties of multicomponent liquid mixtures of esters and alcohols present in vine production." (2017),
https://hdl.handle.net/21.15107/rcub_technorep_4657 .

Experimental investigation and modeling of thermophysical and extraction properties of choline chloride plus DL-malic acid based deep eutectic solvent

Vuksanović, Jelena; Todorović, Nina; Kijevčanin, Mirjana; Šerbanović, Slobodan P.; Radović, Ivona

(Srpsko hemijsko društvo, Beograd, 2017)

TY  - JOUR
AU  - Vuksanović, Jelena
AU  - Todorović, Nina
AU  - Kijevčanin, Mirjana
AU  - Šerbanović, Slobodan P.
AU  - Radović, Ivona
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3601
AB  - The ability of non-toxic and biodegradable deep eutectic solvent (DES) choline chloride + DL-malic acid in mole ratio 1: 1, for the breaking of the azeotropes heptane + methanol and toluene + methanol by means of liquid-liquid extraction was evaluated. Ternary liquid-liquid equilibrium experiments were performed at 298.15 K and at atmospheric pressure. Densities, viscosities and refractive indices of DES + methanol and water + DES systems were experimentally determined over a wide temperature range and at atmospheric pressure. Additionally, the viscosities of DES + glycerol mixture were determined at temperatures up to 363.15 K to check how much the addition of glycerol decreases high viscosities of DES. The results indicate that the addition of small amounts of water or glycerol as a third component significantly decreases the viscosity of the investigated deep eutectic solvent. Based on the selectivity and distribution ratio values, the extraction ability of the investigated deep eutectic solvent, in comparison with the conventionally used solvents, yields promising results. Non-random two-liquid (NRTL) and universal quasichemical (UNIQUAC) models were satisfactorily applied for correlation of experimental phase equilibrium data for two ternary mixtures.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Experimental investigation and modeling of thermophysical and extraction properties of choline chloride plus DL-malic acid based deep eutectic solvent
EP  - 1302
IS  - 11
SP  - 1287
VL  - 82
DO  - 10.2298/JSC170316054V
ER  - 
@article{
author = "Vuksanović, Jelena and Todorović, Nina and Kijevčanin, Mirjana and Šerbanović, Slobodan P. and Radović, Ivona",
year = "2017",
abstract = "The ability of non-toxic and biodegradable deep eutectic solvent (DES) choline chloride + DL-malic acid in mole ratio 1: 1, for the breaking of the azeotropes heptane + methanol and toluene + methanol by means of liquid-liquid extraction was evaluated. Ternary liquid-liquid equilibrium experiments were performed at 298.15 K and at atmospheric pressure. Densities, viscosities and refractive indices of DES + methanol and water + DES systems were experimentally determined over a wide temperature range and at atmospheric pressure. Additionally, the viscosities of DES + glycerol mixture were determined at temperatures up to 363.15 K to check how much the addition of glycerol decreases high viscosities of DES. The results indicate that the addition of small amounts of water or glycerol as a third component significantly decreases the viscosity of the investigated deep eutectic solvent. Based on the selectivity and distribution ratio values, the extraction ability of the investigated deep eutectic solvent, in comparison with the conventionally used solvents, yields promising results. Non-random two-liquid (NRTL) and universal quasichemical (UNIQUAC) models were satisfactorily applied for correlation of experimental phase equilibrium data for two ternary mixtures.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Experimental investigation and modeling of thermophysical and extraction properties of choline chloride plus DL-malic acid based deep eutectic solvent",
pages = "1302-1287",
number = "11",
volume = "82",
doi = "10.2298/JSC170316054V"
}
Vuksanović, J., Todorović, N., Kijevčanin, M., Šerbanović, S. P.,& Radović, I.. (2017). Experimental investigation and modeling of thermophysical and extraction properties of choline chloride plus DL-malic acid based deep eutectic solvent. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 82(11), 1287-1302.
https://doi.org/10.2298/JSC170316054V
Vuksanović J, Todorović N, Kijevčanin M, Šerbanović SP, Radović I. Experimental investigation and modeling of thermophysical and extraction properties of choline chloride plus DL-malic acid based deep eutectic solvent. in Journal of the Serbian Chemical Society. 2017;82(11):1287-1302.
doi:10.2298/JSC170316054V .
Vuksanović, Jelena, Todorović, Nina, Kijevčanin, Mirjana, Šerbanović, Slobodan P., Radović, Ivona, "Experimental investigation and modeling of thermophysical and extraction properties of choline chloride plus DL-malic acid based deep eutectic solvent" in Journal of the Serbian Chemical Society, 82, no. 11 (2017):1287-1302,
https://doi.org/10.2298/JSC170316054V . .
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Prediction of excess molar volumes of binary mixtures by Prigogine-Flory-Patterson (PFP) and extended real association solution (ERAS) models

Radović, Ivona; Grozdanić, Nikola; Đorđević, Bojan D.; Šerbanović, Slobodan P.; Kijevčanin, Mirjana

(Srpsko hemijsko društvo, Beograd, 2017)

TY  - JOUR
AU  - Radović, Ivona
AU  - Grozdanić, Nikola
AU  - Đorđević, Bojan D.
AU  - Šerbanović, Slobodan P.
AU  - Kijevčanin, Mirjana
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3640
AB  - In this paper, the Prigogine-Flory-Patterson (PFP) theoretical model and the extended real association solution (ERAS) model for the prediction of the excess molar volumes of 17 binary sets of alcohols (methanol, ethanol, propan-1-ol, butan-1-ol, butan-2-ol and pentan-1-ol) with benzene, chlorobenzene, acetonitrile, hexan-1-amine and n-heptane were tested at 298.15 K and atmospheric pressure. The binary sets contained 333 experimental data points for 11 different compounds. The ERAS model demonstrated better correlative characteristics for binary mixtures comparing to PFP model. The ERAS model is successfully applied on all binary systems except ethanol + benzene and propan- 1-ol + benzene. PFP model gave less satisfactory results for all systems except butan-1-ol + hexan-1-amine, for which obtained results were acceptable.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Prediction of excess molar volumes of binary mixtures by Prigogine-Flory-Patterson (PFP) and extended real association solution (ERAS) models
EP  - 1390
IS  - 12
SP  - 1379
VL  - 82
DO  - 10.2298/JSC170817103R
ER  - 
@article{
author = "Radović, Ivona and Grozdanić, Nikola and Đorđević, Bojan D. and Šerbanović, Slobodan P. and Kijevčanin, Mirjana",
year = "2017",
abstract = "In this paper, the Prigogine-Flory-Patterson (PFP) theoretical model and the extended real association solution (ERAS) model for the prediction of the excess molar volumes of 17 binary sets of alcohols (methanol, ethanol, propan-1-ol, butan-1-ol, butan-2-ol and pentan-1-ol) with benzene, chlorobenzene, acetonitrile, hexan-1-amine and n-heptane were tested at 298.15 K and atmospheric pressure. The binary sets contained 333 experimental data points for 11 different compounds. The ERAS model demonstrated better correlative characteristics for binary mixtures comparing to PFP model. The ERAS model is successfully applied on all binary systems except ethanol + benzene and propan- 1-ol + benzene. PFP model gave less satisfactory results for all systems except butan-1-ol + hexan-1-amine, for which obtained results were acceptable.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Prediction of excess molar volumes of binary mixtures by Prigogine-Flory-Patterson (PFP) and extended real association solution (ERAS) models",
pages = "1390-1379",
number = "12",
volume = "82",
doi = "10.2298/JSC170817103R"
}
Radović, I., Grozdanić, N., Đorđević, B. D., Šerbanović, S. P.,& Kijevčanin, M.. (2017). Prediction of excess molar volumes of binary mixtures by Prigogine-Flory-Patterson (PFP) and extended real association solution (ERAS) models. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 82(12), 1379-1390.
https://doi.org/10.2298/JSC170817103R
Radović I, Grozdanić N, Đorđević BD, Šerbanović SP, Kijevčanin M. Prediction of excess molar volumes of binary mixtures by Prigogine-Flory-Patterson (PFP) and extended real association solution (ERAS) models. in Journal of the Serbian Chemical Society. 2017;82(12):1379-1390.
doi:10.2298/JSC170817103R .
Radović, Ivona, Grozdanić, Nikola, Đorđević, Bojan D., Šerbanović, Slobodan P., Kijevčanin, Mirjana, "Prediction of excess molar volumes of binary mixtures by Prigogine-Flory-Patterson (PFP) and extended real association solution (ERAS) models" in Journal of the Serbian Chemical Society, 82, no. 12 (2017):1379-1390,
https://doi.org/10.2298/JSC170817103R . .
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6

Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion

Soldatović, Danijela; Vuksanović, Jelena; Radović, Ivona; Višak, Zoran P.; Kijevčanin, Mirjana

(Academic Press Ltd- Elsevier Science Ltd, London, 2017)

TY  - JOUR
AU  - Soldatović, Danijela
AU  - Vuksanović, Jelena
AU  - Radović, Ivona
AU  - Višak, Zoran P.
AU  - Kijevčanin, Mirjana
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3736
AB  - In this study, densities and viscosities of four binary systems {aniline/N,N-dimethylaniline + 1-butyl-3-methylimidazolium triflate ([bmim][OTf])} and {aniline/N,N-dimethylaniline + 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim][NTf2])} were measured at atmospheric pressure and within the temperature range T = (288.15 to 333.15) K. Excess molar volumes V-E, viscosity deviations Delta eta and excess molar Gibbs energies of activation of viscous flow Delta G*(E) were calculated and the results were fitted to a Redlich-Kister polynomial equation. Also, enthalpic and entropic parts of the Delta G*(E) function were determined, at the same composition, for three studied systems that exhibit complete miscibility, since {aniline + [bmim][OTf]} is a partially miscible system. Considering the calculated thermodynamic properties, molecular interactions in the investigated binary systems were analysed and are discussed.
PB  - Academic Press Ltd- Elsevier Science Ltd, London
T2  - Journal of Chemical Thermodynamics
T1  - Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
EP  - 154
SP  - 137
VL  - 109
DO  - 10.1016/j.jct.2017.02.007
ER  - 
@article{
author = "Soldatović, Danijela and Vuksanović, Jelena and Radović, Ivona and Višak, Zoran P. and Kijevčanin, Mirjana",
year = "2017",
abstract = "In this study, densities and viscosities of four binary systems {aniline/N,N-dimethylaniline + 1-butyl-3-methylimidazolium triflate ([bmim][OTf])} and {aniline/N,N-dimethylaniline + 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim][NTf2])} were measured at atmospheric pressure and within the temperature range T = (288.15 to 333.15) K. Excess molar volumes V-E, viscosity deviations Delta eta and excess molar Gibbs energies of activation of viscous flow Delta G*(E) were calculated and the results were fitted to a Redlich-Kister polynomial equation. Also, enthalpic and entropic parts of the Delta G*(E) function were determined, at the same composition, for three studied systems that exhibit complete miscibility, since {aniline + [bmim][OTf]} is a partially miscible system. Considering the calculated thermodynamic properties, molecular interactions in the investigated binary systems were analysed and are discussed.",
publisher = "Academic Press Ltd- Elsevier Science Ltd, London",
journal = "Journal of Chemical Thermodynamics",
title = "Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion",
pages = "154-137",
volume = "109",
doi = "10.1016/j.jct.2017.02.007"
}
Soldatović, D., Vuksanović, J., Radović, I., Višak, Z. P.,& Kijevčanin, M.. (2017). Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion. in Journal of Chemical Thermodynamics
Academic Press Ltd- Elsevier Science Ltd, London., 109, 137-154.
https://doi.org/10.1016/j.jct.2017.02.007
Soldatović D, Vuksanović J, Radović I, Višak ZP, Kijevčanin M. Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion. in Journal of Chemical Thermodynamics. 2017;109:137-154.
doi:10.1016/j.jct.2017.02.007 .
Soldatović, Danijela, Vuksanović, Jelena, Radović, Ivona, Višak, Zoran P., Kijevčanin, Mirjana, "Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion" in Journal of Chemical Thermodynamics, 109 (2017):137-154,
https://doi.org/10.1016/j.jct.2017.02.007 . .
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