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.
Кључне речи:
Caffeine / Density / Ethylene glycol / Refractive index / Transport fluid / Viscosity
Извор:
Journal of Molecular Liquids, 2021, 333, 0167-7322, 115918-
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 . .
