TY  - JOUR
AU  - Zarić, Milana
AU  - Vraneš, Milan B.
AU  - Bikić, Siniša M.
AU  - Tot, Aleksandar
AU  - Papović, Snežana
AU  - Borović, Teona Teodora
AU  - Kijevčanin, Mirjana
AU  - Radović, Ivona
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5414
AB  - Ethylene glycol is recognized as a heat transfer fluid. To improve its performance, caffeine is added to pure ethylene glycol. The experimental measurements of densities at pressures of up to 60 MPa and in the range of temperatures 293.15-413.15 K were performed. Obtained experimental results were fitted by the modified Tammann-Tait equation, and parameters were used to determine some valuable thermodynamic and mechanical properties, the isothermal compressibility, the isobaric thermal expansibility, the internal pressure, and the difference of specific heat capacity at constant pressure and constant volume. The same approach was applied to the equimolar mixture of ethylene glycol and water. The results confirm negligible changes in the investigated thermodynamic properties with the addition of caffeine into pure ethylene glycol and significantly smaller dependence on temperature compared to the mixture of ethylene glycol and water.
PB  - USA : American Chemical Society
T2  - Journal of Chemical & Engineering Data
T1  - Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures
VL  - 67
IS  - 11
SP  - 3351
EP  - 3363
DO  - 10.1021/acs.jced.2c00401
ER  - 

@article{
author = "Zarić, Milana and Vraneš, Milan B. and Bikić, Siniša M. and Tot, Aleksandar and Papović, Snežana and Borović, Teona Teodora and Kijevčanin, Mirjana and Radović, Ivona",
year = "2022",
abstract = "Ethylene glycol is recognized as a heat transfer fluid. To improve its performance, caffeine is added to pure ethylene glycol. The experimental measurements of densities at pressures of up to 60 MPa and in the range of temperatures 293.15-413.15 K were performed. Obtained experimental results were fitted by the modified Tammann-Tait equation, and parameters were used to determine some valuable thermodynamic and mechanical properties, the isothermal compressibility, the isobaric thermal expansibility, the internal pressure, and the difference of specific heat capacity at constant pressure and constant volume. The same approach was applied to the equimolar mixture of ethylene glycol and water. The results confirm negligible changes in the investigated thermodynamic properties with the addition of caffeine into pure ethylene glycol and significantly smaller dependence on temperature compared to the mixture of ethylene glycol and water.",
publisher = "USA : American Chemical Society",
journal = "Journal of Chemical & Engineering Data",
title = "Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures",
volume = "67",
number = "11",
pages = "3351-3363",
doi = "10.1021/acs.jced.2c00401"
}

Zarić, M., Vraneš, M. B., Bikić, S. M., Tot, A., Papović, S., Borović, T. T., Kijevčanin, M.,& Radović, I.. (2022). Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures. in Journal of Chemical & Engineering Data
USA : American Chemical Society., 67(11), 3351-3363.
https://doi.org/10.1021/acs.jced.2c00401

Zarić M, Vraneš MB, Bikić SM, Tot A, Papović S, Borović TT, Kijevčanin M, Radović I. Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures. in Journal of Chemical & Engineering Data. 2022;67(11):3351-3363.
doi:10.1021/acs.jced.2c00401 .

Zarić, Milana, Vraneš, Milan B., Bikić, Siniša M., Tot, Aleksandar, Papović, Snežana, Borović, Teona Teodora, Kijevčanin, Mirjana, Radović, Ivona, "Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures" in Journal of Chemical & Engineering Data, 67, no. 11 (2022):3351-3363,
https://doi.org/10.1021/acs.jced.2c00401 . .

TY  - JOUR
AU  - Vraneš, Milan B.
AU  - Radović, Ivona
AU  - Bikić, Siniša M.
AU  - Tot, Aleksandar
AU  - Kijevčanin, Mirjana
AU  - Zarić, Milana
AU  - Borović, Teona Teodora
AU  - Papović, Snežana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4485
AB  - In this article, detailed physicochemical characterization of ethylene glycol and caffeine + ethylene glycol mixtures is performed based on density, viscosity and refractive indices measurements in temperature range from (288.15 to 343.15) K. The apparent molar volume (Vϕ), apparent molar volume at infinite dilution (Vϕo), Masson's experimental slope (Sv), limiting apparent molar expansibility, (Eϕo), viscosity B-coefficient, thermodynamical parameters of viscous flow and molar refractions (Rm) have been evaluated from experimental measurements and results are additionally proven by molecular dynamic simulations. The addition of caffeine reduces viscosity of ethylene glycol, while caffeine molecules have high tendency to form self-aggregates due to weak interactions with ethylene glycol. Compared to aqueous solution of caffeine, caffeine + ethylene glycol mixtures are characterized with significantly lower solvation number and with more pronounced caffeine self-aggregation.
PB  - Elsevier
T2  - Journal of Molecular Liquids
T1  - Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence
VL  - 333
IS  - 0167-7322
IS  - 1873-3166
SP  - 115918
DO  - 10.1016/j.molliq.2021.115918
ER  - 

@article{
author = "Vraneš, Milan B. and Radović, Ivona and Bikić, Siniša M. and Tot, Aleksandar and Kijevčanin, Mirjana and Zarić, Milana and Borović, Teona Teodora and Papović, Snežana",
year = "2021",
abstract = "In this article, detailed physicochemical characterization of ethylene glycol and caffeine + ethylene glycol mixtures is performed based on density, viscosity and refractive indices measurements in temperature range from (288.15 to 343.15) K. The apparent molar volume (Vϕ), apparent molar volume at infinite dilution (Vϕo), Masson's experimental slope (Sv), limiting apparent molar expansibility, (Eϕo), viscosity B-coefficient, thermodynamical parameters of viscous flow and molar refractions (Rm) have been evaluated from experimental measurements and results are additionally proven by molecular dynamic simulations. The addition of caffeine reduces viscosity of ethylene glycol, while caffeine molecules have high tendency to form self-aggregates due to weak interactions with ethylene glycol. Compared to aqueous solution of caffeine, caffeine + ethylene glycol mixtures are characterized with significantly lower solvation number and with more pronounced caffeine self-aggregation.",
publisher = "Elsevier",
journal = "Journal of Molecular Liquids",
title = "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence",
volume = "333",
number = "0167-7322, 1873-3166",
pages = "115918",
doi = "10.1016/j.molliq.2021.115918"
}

Vraneš, M. B., Radović, I., Bikić, S. M., Tot, A., Kijevčanin, M., Zarić, M., Borović, T. T.,& Papović, S.. (2021). Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence. in Journal of Molecular Liquids
Elsevier., 333(0167-7322), 115918.
https://doi.org/10.1016/j.molliq.2021.115918

Vraneš MB, Radović I, Bikić SM, Tot A, Kijevčanin M, Zarić M, Borović TT, Papović S. Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence. in Journal of Molecular Liquids. 2021;333(0167-7322):115918.
doi:10.1016/j.molliq.2021.115918 .

Vraneš, Milan B., Radović, Ivona, Bikić, Siniša M., Tot, Aleksandar, Kijevčanin, Mirjana, Zarić, Milana, Borović, Teona Teodora, Papović, Snežana, "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence" in Journal of Molecular Liquids, 333, no. 0167-7322 (2021):115918,
https://doi.org/10.1016/j.molliq.2021.115918 . .

TY  - DATA
AU  - Vraneš, Milan B.
AU  - Radović, Ivona
AU  - Bikić, Siniša M.
AU  - Tot, Aleksandar
AU  - Kijevčanin, Mirjana
AU  - Zarić, Milana
AU  - Borović, Teona Teodora
AU  - Papović, Snežana
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4486
AB  - The tabular values and graphical representations of measured densities of caffeine+ethylene glycol solutions along with derived properties (thermal expansion coefficients, apparent and partial molar volumes and limiting molar expansibility) and used equations. The tabulated values of measured viscosities of solutions, the calculated thermodynamic parameters and the values of shear rate and shear stress.
PB  - Elsevier
T2  - Journal of Molecular Liquids
T1  - Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence"
UR  - https://hdl.handle.net/21.15107/rcub_cer_4486
ER  - 

@misc{
author = "Vraneš, Milan B. and Radović, Ivona and Bikić, Siniša M. and Tot, Aleksandar and Kijevčanin, Mirjana and Zarić, Milana and Borović, Teona Teodora and Papović, Snežana",
year = "2021",
abstract = "The tabular values and graphical representations of measured densities of caffeine+ethylene glycol solutions along with derived properties (thermal expansion coefficients, apparent and partial molar volumes and limiting molar expansibility) and used equations. The tabulated values of measured viscosities of solutions, the calculated thermodynamic parameters and the values of shear rate and shear stress.",
publisher = "Elsevier",
journal = "Journal of Molecular Liquids",
title = "Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence"",
url = "https://hdl.handle.net/21.15107/rcub_cer_4486"
}

Vraneš, M. B., Radović, I., Bikić, S. M., Tot, A., Kijevčanin, M., Zarić, M., Borović, T. T.,& Papović, S.. (2021). Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence". in Journal of Molecular Liquids
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_4486

Vraneš MB, Radović I, Bikić SM, Tot A, Kijevčanin M, Zarić M, Borović TT, Papović S. Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence". in Journal of Molecular Liquids. 2021;.
https://hdl.handle.net/21.15107/rcub_cer_4486 .

Vraneš, Milan B., Radović, Ivona, Bikić, Siniša M., Tot, Aleksandar, Kijevčanin, Mirjana, Zarić, Milana, Borović, Teona Teodora, Papović, Snežana, "Supplementary data for: "Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence"" in Journal of Molecular Liquids (2021),
https://hdl.handle.net/21.15107/rcub_cer_4486 .

TY  - JOUR
AU  - Ilić-Pajić, Jovana
AU  - Ivaniš, Gorica
AU  - Radović, Ivona
AU  - Grujić, Aleksandar
AU  - Stajić-Trošić, Jasna
AU  - Stijepović, Mirko Z.
AU  - Kijevčanin, Mirjana
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3784
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, α-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  - Elsevier
T2  - The Journal of Chemical Thermodynamics
T1  - Experimental densities and derived thermodynamic properties of pure p-cymene, α-pinene, limonene and citral under high pressure conditions
VL  - 144
SP  - 106065
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 Z. 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, α-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 = "Elsevier",
journal = "The Journal of Chemical Thermodynamics",
title = "Experimental densities and derived thermodynamic properties of pure p-cymene, α-pinene, limonene and citral under high pressure conditions",
volume = "144",
pages = "106065",
doi = "10.1016/j.jct.2020.106065"
}

Ilić-Pajić, J., Ivaniš, G., Radović, I., Grujić, A., Stajić-Trošić, J., Stijepović, M. Z.,& Kijevčanin, M.. (2020). Experimental densities and derived thermodynamic properties of pure p-cymene, α-pinene, limonene and citral under high pressure conditions. in The Journal of Chemical Thermodynamics
Elsevier., 144, 106065.
https://doi.org/10.1016/j.jct.2020.106065

Ilić-Pajić J, Ivaniš G, Radović I, Grujić A, Stajić-Trošić J, Stijepović MZ, Kijevčanin M. Experimental densities and derived thermodynamic properties of pure p-cymene, α-pinene, limonene and citral under high pressure conditions. in The Journal of Chemical Thermodynamics. 2020;144:106065.
doi:10.1016/j.jct.2020.106065 .

Ilić-Pajić, Jovana, Ivaniš, Gorica, Radović, Ivona, Grujić, Aleksandar, Stajić-Trošić, Jasna, Stijepović, Mirko Z., Kijevčanin, Mirjana, "Experimental densities and derived thermodynamic properties of pure p-cymene, α-pinene, limonene and citral under high pressure conditions" in The Journal of Chemical Thermodynamics, 144 (2020):106065,
https://doi.org/10.1016/j.jct.2020.106065 . .

TY  - JOUR
AU  - Zarić, Milana
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2020
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3435
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 (VE), viscosity deviation (Δη), refractive index deviation (ΔnD) and speed of sound deviation (Δu) 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
T2  - Journal of Molecular Liquids
T1  - Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations
VL  - 303
SP  - 112486
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 (VE), viscosity deviation (Δη), refractive index deviation (ΔnD) and speed of sound deviation (Δu) 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",
journal = "Journal of Molecular Liquids",
title = "Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations",
volume = "303",
pages = "112486",
doi = "10.1016/j.molliq.2020.112486"
}

Zarić, M., Radović, I.,& Kijevčanin, M.. (2020). Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations. in Journal of Molecular Liquids
Elsevier., 303, 112486.
https://doi.org/10.1016/j.molliq.2020.112486

Zarić M, Radović I, Kijevčanin M. Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations. in Journal of Molecular Liquids. 2020;303:112486.
doi:10.1016/j.molliq.2020.112486 .

Zarić, Milana, Radović, Ivona, Kijevčanin, Mirjana, "Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations" in Journal of Molecular Liquids, 303 (2020):112486,
https://doi.org/10.1016/j.molliq.2020.112486 . .

TY  - CONF
AU  - Zarić, Milana
AU  - Imhof, Petra
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2019
UR  - https://www.shd.org.rs/index.php/abstracts-56
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3290
AB  - Experimental and theoretical methods were used to study two mixtures, 1-hexanol with n-hexane 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 / Srpsko hemijsko društvo, Beograd
C3  - 56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.
T1  - Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems
T1  - Eksperimentalna merenja i teorijske simulacije binarnih sistema alkohola i ugljovodonika
SP  - 32
UR  - https://hdl.handle.net/21.15107/rcub_cer_3290
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 n-hexane 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 / Srpsko hemijsko društvo, Beograd",
journal = "56th Meeting of the Serbian chemical Society - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.",
title = "Experimental measurements and theoretical simulations of alcohol and hydrocarbon binary systems, Eksperimentalna merenja i teorijske simulacije binarnih sistema alkohola i ugljovodonika",
pages = "32",
url = "https://hdl.handle.net/21.15107/rcub_cer_3290"
}

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 - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.
Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd., 32.
https://hdl.handle.net/21.15107/rcub_cer_3290

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 - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019.. 2019;:32.
https://hdl.handle.net/21.15107/rcub_cer_3290 .

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 - Book of Abstracts / 56. Savetovanje Srpskog hemijskog društva - Kratki izvodi radova, Niš 7-8.9. 2019. (2019):32,
https://hdl.handle.net/21.15107/rcub_cer_3290 .

TY  - CONF
AU  - Zarić, Milana
AU  - Imhof, Petra
AU  - Radović, Ivona
AU  - Kijevčanin, Mirjana
PY  - 2019
UR  - https://www.shd.org.rs/index.php/proceedings-56
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3291
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 / Srpsko hemijsko društvo, Beograd
C3  - 56th Meeting of the Serbian chemical Society - Proceedings / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019.
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_cer_3291
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 / Srpsko hemijsko društvo, Beograd",
journal = "56th Meeting of the Serbian chemical Society - Proceedings / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019.",
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_cer_3291"
}

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 / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019.
Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd., 38.
https://hdl.handle.net/21.15107/rcub_cer_3291

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 / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019.. 2019;:38.
https://hdl.handle.net/21.15107/rcub_cer_3291 .

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 / 56. Savetovanje Srpskog hemijskog društva - Knjiga radova, Niš 7-8.9. 2019. (2019):38,
https://hdl.handle.net/21.15107/rcub_cer_3291 .

TY  - JOUR
AU  - Ilić-Pajić, Jovana
AU  - Stijepović, Mirko Z.
AU  - Ivaniš, Gorica
AU  - Radović, Ivona
AU  - Stajić-Trošić, Jasna
AU  - Kijevčanin, Mirjana
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2334
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 %.
AB  - SAFT једначине стања се веома често користе за одређивање различитих термофизичких својстава, као и у описивању различитих равнотежа фаза. Да би се ови модели могли користити у предвиђању термодинамичких величина неопходно је претходно одредити параметре модела. У овом раду су коришћене CK-SAFT и PC-SAFT једначине
стања за одређивање густина чистих компонената у широком опсегу температура и притисака (288,15–413,15 K, односно 0,1–60 MPa). Прорачун густина n-хексана, n-хептана,
n-октана, толуена, дихлорметана и етанола је извршен на високим притисцима са сетовима параметара одређених у овом раду помоћу наведених CK-SAFT и PC-SAFT модела. 
Коришћењем добијених параметара постигнути су веома добри резултати са апсолутним средњим процентуалним грешкама мањим од 0,5 %.
PB  - Belgrade : Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Modelling of pure components high pressures densities using CK-SAFT and PC-SAFT equations
T1  - Моделовање густина чистих компонената на високим притисцима применом ck-saft и pc-saft једначина стања
VL  - 83
IS  - 3
SP  - 331
EP  - 343
DO  - 10.2298/JSC170613096P
ER  - 

@article{
author = "Ilić-Pajić, Jovana and Stijepović, Mirko Z. 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 %., SAFT једначине стања се веома често користе за одређивање различитих термофизичких својстава, као и у описивању различитих равнотежа фаза. Да би се ови модели могли користити у предвиђању термодинамичких величина неопходно је претходно одредити параметре модела. У овом раду су коришћене CK-SAFT и PC-SAFT једначине
стања за одређивање густина чистих компонената у широком опсегу температура и притисака (288,15–413,15 K, односно 0,1–60 MPa). Прорачун густина n-хексана, n-хептана,
n-октана, толуена, дихлорметана и етанола је извршен на високим притисцима са сетовима параметара одређених у овом раду помоћу наведених CK-SAFT и PC-SAFT модела. 
Коришћењем добијених параметара постигнути су веома добри резултати са апсолутним средњим процентуалним грешкама мањим од 0,5 %.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Modelling of pure components high pressures densities using CK-SAFT and PC-SAFT equations, Моделовање густина чистих компонената на високим притисцима применом ck-saft и pc-saft једначина стања",
volume = "83",
number = "3",
pages = "331-343",
doi = "10.2298/JSC170613096P"
}

Ilić-Pajić, J., Stijepović, M. Z., 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
Belgrade : Serbian Chemical Society., 83(3), 331-343.
https://doi.org/10.2298/JSC170613096P

Ilić-Pajić J, Stijepović MZ, 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 Z., 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 . .

TY  - JOUR
AU  - Vuksanovic, Jelena M.
AU  - Todorović, Nina
AU  - Kijevčanin, Mirjana
AU  - Serbanovic, Slobodan P.
AU  - Radović, Ivona
PY  - 2017
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2114
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  - Serbian Chemical Society
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
VL  - 82
IS  - 11
SP  - 1287
EP  - 1302
DO  - 10.2298/JSC170316054V
ER  - 

@article{
author = "Vuksanovic, Jelena M. and Todorović, Nina and Kijevčanin, Mirjana and Serbanovic, 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 = "Serbian Chemical Society",
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",
volume = "82",
number = "11",
pages = "1287-1302",
doi = "10.2298/JSC170316054V"
}

Vuksanovic, J. M., Todorović, N., Kijevčanin, M., Serbanovic, 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
Serbian Chemical Society., 82(11), 1287-1302.
https://doi.org/10.2298/JSC170316054V

Vuksanovic JM, Todorović N, Kijevčanin M, Serbanovic 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 .

Vuksanovic, Jelena M., Todorović, Nina, Kijevčanin, Mirjana, Serbanovic, 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 . .