TY  - JOUR
AU  - Vranes, Milan
AU  - Radović, Ivona
AU  - Bikic, Sinisa
AU  - Tot, Aleksandar
AU  - Kijevčanin, Mirjana
AU  - Zarić, Danica
AU  - Borovic, Teona Teodora
AU  - Papovic, Snezana
PY  - 2021
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4930
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 (V-phi) arent molar volume at infinite dilution (V-phi(o)), Masson's experimental slope (S-nu), limiting apparent molar expansibility, (E-phi(o)), viscosity B-coefficient, thermodynamical parameters of viscous flow and molar refractions (R-m) 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.
T2  - Journal of Molecular Liquids
T1  - Improving ethylene glycol transport properties by caffeine - Thermodynamic and computational evidence
VL  - 333
DO  - 10.1016/j.molliq.2021.115918
ER  - 

@article{
author = "Vranes, Milan and Radović, Ivona and Bikic, Sinisa and Tot, Aleksandar and Kijevčanin, Mirjana and Zarić, Danica and Borovic, Teona Teodora and Papovic, Snezana",
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 (V-phi) arent molar volume at infinite dilution (V-phi(o)), Masson's experimental slope (S-nu), limiting apparent molar expansibility, (E-phi(o)), viscosity B-coefficient, thermodynamical parameters of viscous flow and molar refractions (R-m) 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.",
journal = "Journal of Molecular Liquids",
title = "Improving ethylene glycol transport properties by caffeine - Thermodynamic and computational evidence",
volume = "333",
doi = "10.1016/j.molliq.2021.115918"
}

Vranes, M., Radović, I., Bikic, S., Tot, A., Kijevčanin, M., Zarić, D., Borovic, T. T.,& Papovic, S.. (2021). Improving ethylene glycol transport properties by caffeine - Thermodynamic and computational evidence. in Journal of Molecular Liquids, 333.
https://doi.org/10.1016/j.molliq.2021.115918

Vranes M, Radović I, Bikic S, Tot A, Kijevčanin M, Zarić D, Borovic TT, Papovic S. Improving ethylene glycol transport properties by caffeine - Thermodynamic and computational evidence. in Journal of Molecular Liquids. 2021;333.
doi:10.1016/j.molliq.2021.115918 .

Vranes, Milan, Radović, Ivona, Bikic, Sinisa, Tot, Aleksandar, Kijevčanin, Mirjana, Zarić, Danica, Borovic, Teona Teodora, Papovic, Snezana, "Improving ethylene glycol transport properties by caffeine - Thermodynamic and computational evidence" in Journal of Molecular Liquids, 333 (2021),
https://doi.org/10.1016/j.molliq.2021.115918 . .