TY  - JOUR
AU  - Borović, Teona Teodora
AU  - Panić, Jovana
AU  - Radović, Ivona
AU  - Grozdanić, Nikola
AU  - Vraneš, Milan
PY  - 2024-03
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/7188
AB  - In this study, a detailed physicochemical characterization of caffeine in 0.1 mol∙kg−1 of 1-butyl-3-methylimidazolium salicylate (abbreviation [Bmim][Sal]) aqueous solutions is performed based on density, speed of sound, refractive index and viscosity measurements in the temperature range from T = (293.15–313.15) K. [Bmim][Sal] slightly increases the solubility of caffeine in water. Data obtained from the volumetric and viscosimetric measurements indicate that [Bmim][Sal] promotes the self-aggregation of caffeine in water. Molecular dynamic simulations provided insight into how [Bmim][Sal] increases caffeine solubility in water. At higher temperatures, the salicylate anion has stronger interactions with caffeine through π–π interactions than at lower temperatures.
PB  - Elsevier B.V.
T2  - Journal of Molecular Liquids
T1  - Interactions of caffeine and 1-butyl-3-methylimidazolium salicylate ionic liquid in water – Solubility, volumetric, acoustic, viscometric and refractometric studies supported by MD simulation
SP  - 124058
VL  - 397
DO  - 10.1016/j.molliq.2024.124058
ER  - 

@article{
author = "Borović, Teona Teodora and Panić, Jovana and Radović, Ivona and Grozdanić, Nikola and Vraneš, Milan",
year = "2024-03",
abstract = "In this study, a detailed physicochemical characterization of caffeine in 0.1 mol∙kg−1 of 1-butyl-3-methylimidazolium salicylate (abbreviation [Bmim][Sal]) aqueous solutions is performed based on density, speed of sound, refractive index and viscosity measurements in the temperature range from T = (293.15–313.15) K. [Bmim][Sal] slightly increases the solubility of caffeine in water. Data obtained from the volumetric and viscosimetric measurements indicate that [Bmim][Sal] promotes the self-aggregation of caffeine in water. Molecular dynamic simulations provided insight into how [Bmim][Sal] increases caffeine solubility in water. At higher temperatures, the salicylate anion has stronger interactions with caffeine through π–π interactions than at lower temperatures.",
publisher = "Elsevier B.V.",
journal = "Journal of Molecular Liquids",
title = "Interactions of caffeine and 1-butyl-3-methylimidazolium salicylate ionic liquid in water – Solubility, volumetric, acoustic, viscometric and refractometric studies supported by MD simulation",
pages = "124058",
volume = "397",
doi = "10.1016/j.molliq.2024.124058"
}

Borović, T. T., Panić, J., Radović, I., Grozdanić, N.,& Vraneš, M.. (2024-03). Interactions of caffeine and 1-butyl-3-methylimidazolium salicylate ionic liquid in water – Solubility, volumetric, acoustic, viscometric and refractometric studies supported by MD simulation. in Journal of Molecular Liquids
Elsevier B.V.., 397, 124058.
https://doi.org/10.1016/j.molliq.2024.124058

Borović TT, Panić J, Radović I, Grozdanić N, Vraneš M. Interactions of caffeine and 1-butyl-3-methylimidazolium salicylate ionic liquid in water – Solubility, volumetric, acoustic, viscometric and refractometric studies supported by MD simulation. in Journal of Molecular Liquids. 2024;397:124058.
doi:10.1016/j.molliq.2024.124058 .

Borović, Teona Teodora, Panić, Jovana, Radović, Ivona, Grozdanić, Nikola, Vraneš, Milan, "Interactions of caffeine and 1-butyl-3-methylimidazolium salicylate ionic liquid in water – Solubility, volumetric, acoustic, viscometric and refractometric studies supported by MD simulation" in Journal of Molecular Liquids, 397 (2024-03):124058,
https://doi.org/10.1016/j.molliq.2024.124058 . .

TY  - JOUR
AU  - Zarić, Milana M.
AU  - Vraneš, Milan
AU  - Bikić, Siniša
AU  - Tot, Aleksandar
AU  - Papović, Snežana
AU  - Borović, Teona Teodora
AU  - Kijevčanin, Mirjana Lj.
AU  - Radović, Ivona R.
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5246
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  - American Chemical Society
T2  - Journal of Chemical and Engineering Data
T1  - Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures
DO  - 10.1021/acs.jced.2c00401
ER  - 

@article{
author = "Zarić, Milana M. and Vraneš, Milan and Bikić, Siniša and Tot, Aleksandar and Papović, Snežana and Borović, Teona Teodora and Kijevčanin, Mirjana Lj. and Radović, Ivona R.",
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 = "American Chemical Society",
journal = "Journal of Chemical and Engineering Data",
title = "Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures",
doi = "10.1021/acs.jced.2c00401"
}

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

Zarić MM, Vraneš M, Bikić S, Tot A, Papović S, Borović TT, Kijevčanin ML, Radović IR. Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures. in Journal of Chemical and Engineering Data. 2022;.
doi:10.1021/acs.jced.2c00401 .

Zarić, Milana M., Vraneš, Milan, Bikić, Siniša, Tot, Aleksandar, Papović, Snežana, Borović, Teona Teodora, Kijevčanin, Mirjana Lj., Radović, Ivona R., "Thermodynamic Properties of Caffeine in Ethylene Glycol at High Pressures and High Temperatures" in Journal of Chemical and Engineering Data (2022),
https://doi.org/10.1021/acs.jced.2c00401 . .