Modeling vapor-liquid equilibrium and liquid-liquid extraction of deep eutectic solvents and ionic liquids using perturbed-chain statistical associating fluid theory equation of state. Part II
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388998%3A_____%2F22%3A00558064" target="_blank" >RIV/61388998:_____/22:00558064 - isvavai.cz</a>
Výsledek na webu
<a href="https://doi.org/10.1002/aic.17774" target="_blank" >https://doi.org/10.1002/aic.17774</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/aic.17774" target="_blank" >10.1002/aic.17774</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Modeling vapor-liquid equilibrium and liquid-liquid extraction of deep eutectic solvents and ionic liquids using perturbed-chain statistical associating fluid theory equation of state. Part II
Popis výsledku v původním jazyce
This study aims to use perturbed-chain statistical associating fluid theory (PC-SAFT) to describe the phase behavior of systems containing deep eutectic solvents (DESs) and ionic liquids (ILs). The DESs are based on tetrabutylammonium chloride and tetrabutylammonium bromide as hydrogen bond acceptors, and levulinic acid and diethylene glycol as hydrogen bond donors in the mole ratio of 1:2 and 1:4, respectively. Predictions of phase equilibria by PC-SAFT were compared with the results of COnductor like Screening MOdel for Real Solvents (COSMO-RS) and non-random two-liquid (NRTL). In this work, low viscosity ether- and pyridinium-based ILs [EnPy] [NTf2] and [CmPy][NTf2] were used for vapor–liquid equilibrium systems, while 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide and 1-pro-pyl-3-methylimidazolium bis{trifluoromethylsulfonyl}imide with n-heptane + thiophene and n-hexane + ethylbenzene were used in the liquid–liquid extraction, respectively. In the last part, the phase behavior of the mixtures of perfluoroalkylalkanes with their linear alkane counterparts was studied and compared with the SAFT-Mie pair potential.
Název v anglickém jazyce
Modeling vapor-liquid equilibrium and liquid-liquid extraction of deep eutectic solvents and ionic liquids using perturbed-chain statistical associating fluid theory equation of state. Part II
Popis výsledku anglicky
This study aims to use perturbed-chain statistical associating fluid theory (PC-SAFT) to describe the phase behavior of systems containing deep eutectic solvents (DESs) and ionic liquids (ILs). The DESs are based on tetrabutylammonium chloride and tetrabutylammonium bromide as hydrogen bond acceptors, and levulinic acid and diethylene glycol as hydrogen bond donors in the mole ratio of 1:2 and 1:4, respectively. Predictions of phase equilibria by PC-SAFT were compared with the results of COnductor like Screening MOdel for Real Solvents (COSMO-RS) and non-random two-liquid (NRTL). In this work, low viscosity ether- and pyridinium-based ILs [EnPy] [NTf2] and [CmPy][NTf2] were used for vapor–liquid equilibrium systems, while 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide and 1-pro-pyl-3-methylimidazolium bis{trifluoromethylsulfonyl}imide with n-heptane + thiophene and n-hexane + ethylbenzene were used in the liquid–liquid extraction, respectively. In the last part, the phase behavior of the mixtures of perfluoroalkylalkanes with their linear alkane counterparts was studied and compared with the SAFT-Mie pair potential.
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
20303 - Thermodynamics
Návaznosti výsledku
Projekt
<a href="/cs/project/GA22-03380S" target="_blank" >GA22-03380S: Vodné směsi se solemi při extrémních podmínkách - přesné experimenty, molekulární simulace a modelování</a><br>
Návaznosti
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2022
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
AIChE Journal
ISSN
0001-1541
e-ISSN
1547-5905
Svazek periodika
68
Číslo periodika v rámci svazku
9
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
14
Strana od-do
e17774
Kód UT WoS článku
000807560000001
EID výsledku v databázi Scopus
2-s2.0-85131365655