Further insight into the influence of functionalization and positional isomerism of pyridinium ionic liquids on the aqueous two-phase system equilibria
Samo za registrovane korisnike
2020
Autori
Dimitrijević, AleksandraМilićević, Jelena
Jocić, Ana
Marić, Slađana
Trtić-Petrović, Tatjana M.
Papović, Snežana
Tot, Aleksandar
Gadžurić, Slobodan
Vraneš, Milan
Članak u časopisu (Objavljena verzija)
,
© 2020 Elsevier B.V.
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
Despite a large collection of publications dealing with the characterization of ionic liquid-based aqueous biphasic systems (IL-ABS), a gap still exists regarding the impact of functionalized alkyl side branches and IL positional isomers on phase equilibria. Therefore, this work addresses the investigation of the ability of different methyl substituted pyridinium based ILs on the formation of ABSs with K3PO4. We evaluated the impact of (i) functional groups (hydroxyl or ether) embed in side alkyl chains of pyridinium cations, (ii) positional isomerism of methyl group (ortho, meta and para) and (iii) the IL cation core. Ternary phase diagrams of the ABSs formed by these ILs and K3PO4 and the appropriate tie lines were determined and presented. It is shown that the presence of functionalized alkyl chain largely affects the salting-in behavior of ILs (ILs with the oxygen groups are more difficult to form ABS) while more subtle differences were observed among positional isomers. Based on t...he obtained results it is concluded that change of biphasic area of ABS is the manifestation of the altered affinity of ILs for water as a consequence of cation structure. Moreover, aiming at gathering a broader picture of the relationship between ILs structure and ABS properties, molecular simulations were performed, and it was showed that the obtained results are consistent with the experimental results. © 2020 Elsevier B.V.
Ključne reči:
Aqueous biphasic systems / Molecular simulations / Positional isomers / Pyridinium ionic liquidsIzvor:
Fluid Phase Equilibria, 2020, 512, 112520-Finansiranje / projekti:
- Fizika i hemija sa jonskim snopovima (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45006)
- Pristupi održivosti i zelene hemije u razvoju ekološki pogodnih analitičkih metoda i skladištenju energije (RS-MESTD-Basic Research (BR or ON)-172012)
DOI: 10.1016/j.fluid.2020.112520
ISSN: 0378-3812
WoS: 000531016800007
Scopus: 2-s2.0-85079838095
Kolekcije
Institucija/grupa
VinčaTY - JOUR AU - Dimitrijević, Aleksandra AU - Мilićević, Jelena AU - Jocić, Ana AU - Marić, Slađana AU - Trtić-Petrović, Tatjana M. AU - Papović, Snežana AU - Tot, Aleksandar AU - Gadžurić, Slobodan AU - Vraneš, Milan PY - 2020 UR - https://vinar.vin.bg.ac.rs/handle/123456789/8833 AB - Despite a large collection of publications dealing with the characterization of ionic liquid-based aqueous biphasic systems (IL-ABS), a gap still exists regarding the impact of functionalized alkyl side branches and IL positional isomers on phase equilibria. Therefore, this work addresses the investigation of the ability of different methyl substituted pyridinium based ILs on the formation of ABSs with K3PO4. We evaluated the impact of (i) functional groups (hydroxyl or ether) embed in side alkyl chains of pyridinium cations, (ii) positional isomerism of methyl group (ortho, meta and para) and (iii) the IL cation core. Ternary phase diagrams of the ABSs formed by these ILs and K3PO4 and the appropriate tie lines were determined and presented. It is shown that the presence of functionalized alkyl chain largely affects the salting-in behavior of ILs (ILs with the oxygen groups are more difficult to form ABS) while more subtle differences were observed among positional isomers. Based on the obtained results it is concluded that change of biphasic area of ABS is the manifestation of the altered affinity of ILs for water as a consequence of cation structure. Moreover, aiming at gathering a broader picture of the relationship between ILs structure and ABS properties, molecular simulations were performed, and it was showed that the obtained results are consistent with the experimental results. © 2020 Elsevier B.V. T2 - Fluid Phase Equilibria T1 - Further insight into the influence of functionalization and positional isomerism of pyridinium ionic liquids on the aqueous two-phase system equilibria VL - 512 SP - 112520 DO - 10.1016/j.fluid.2020.112520 ER -
@article{ author = "Dimitrijević, Aleksandra and Мilićević, Jelena and Jocić, Ana and Marić, Slađana and Trtić-Petrović, Tatjana M. and Papović, Snežana and Tot, Aleksandar and Gadžurić, Slobodan and Vraneš, Milan", year = "2020", abstract = "Despite a large collection of publications dealing with the characterization of ionic liquid-based aqueous biphasic systems (IL-ABS), a gap still exists regarding the impact of functionalized alkyl side branches and IL positional isomers on phase equilibria. Therefore, this work addresses the investigation of the ability of different methyl substituted pyridinium based ILs on the formation of ABSs with K3PO4. We evaluated the impact of (i) functional groups (hydroxyl or ether) embed in side alkyl chains of pyridinium cations, (ii) positional isomerism of methyl group (ortho, meta and para) and (iii) the IL cation core. Ternary phase diagrams of the ABSs formed by these ILs and K3PO4 and the appropriate tie lines were determined and presented. It is shown that the presence of functionalized alkyl chain largely affects the salting-in behavior of ILs (ILs with the oxygen groups are more difficult to form ABS) while more subtle differences were observed among positional isomers. Based on the obtained results it is concluded that change of biphasic area of ABS is the manifestation of the altered affinity of ILs for water as a consequence of cation structure. Moreover, aiming at gathering a broader picture of the relationship between ILs structure and ABS properties, molecular simulations were performed, and it was showed that the obtained results are consistent with the experimental results. © 2020 Elsevier B.V.", journal = "Fluid Phase Equilibria", title = "Further insight into the influence of functionalization and positional isomerism of pyridinium ionic liquids on the aqueous two-phase system equilibria", volume = "512", pages = "112520", doi = "10.1016/j.fluid.2020.112520" }
Dimitrijević, A., Мilićević, J., Jocić, A., Marić, S., Trtić-Petrović, T. M., Papović, S., Tot, A., Gadžurić, S.,& Vraneš, M.. (2020). Further insight into the influence of functionalization and positional isomerism of pyridinium ionic liquids on the aqueous two-phase system equilibria. in Fluid Phase Equilibria, 512, 112520. https://doi.org/10.1016/j.fluid.2020.112520
Dimitrijević A, Мilićević J, Jocić A, Marić S, Trtić-Petrović TM, Papović S, Tot A, Gadžurić S, Vraneš M. Further insight into the influence of functionalization and positional isomerism of pyridinium ionic liquids on the aqueous two-phase system equilibria. in Fluid Phase Equilibria. 2020;512:112520. doi:10.1016/j.fluid.2020.112520 .
Dimitrijević, Aleksandra, Мilićević, Jelena, Jocić, Ana, Marić, Slađana, Trtić-Petrović, Tatjana M., Papović, Snežana, Tot, Aleksandar, Gadžurić, Slobodan, Vraneš, Milan, "Further insight into the influence of functionalization and positional isomerism of pyridinium ionic liquids on the aqueous two-phase system equilibria" in Fluid Phase Equilibria, 512 (2020):112520, https://doi.org/10.1016/j.fluid.2020.112520 . .