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- W3161349566 abstract "• Three-component CO 2 -BOLs were introduced for high pressure CO 2 capture. • DBU/DMEA/n-butanol exhibited the best CO 2 capture performance. • The experimental CO 2 solubility data in CO 2 -BOLs were obtained. • Thermodynamic modeling of CO 2 solubility was performed by LJ-Global TPT2 EoS. CO 2 -binding organic liquids (CO 2 -BOLs) or switchable ionic liquids (SILs) are switchable polarity solvents (SPS) that can be used as non-aqueous, energy efficient solvents for CO 2 absorption. In this study, the three-component CO 2 -BOLs comprised of a single-component CO 2 -BOL (tertiary alkanolamine) and a two-component CO 2 -BOL (superbase/alcohol) are introduced. The most efficient equimolar combination of superbase (1,8-diazabicyclo-[5.4.0]-undec-7-ene (DBU)), alcohol (methanol, n-butanol, sec -butanol, tert -butanol and hexanol) and amine (Dimethylethanolamine (DMEA), Diethylethanolamine (DEEA) and N-methyldiethanolamine (MDEA)) are obtained using screening experiments considering CO 2 loading ( α eq ) and absorption rate ( α R ). The mixture design technique is employed for modeling of α eq and α R as a function of mole fraction of components at 35.0 °C and initial pressure of 25.0 bar. The DBU/DMEA/n-butanol CO 2 -BOL represented the best performance for CO 2 uptake. The experimental CO 2 solubility data in DBU/n-butanol, DBU/DMEA and DBU/DMEA/n-butanol BOLs were obtained in the temperature range of 25.0–45.0 °C and the pressure range of 1.0–45.0 bar. The DBU mole fraction was selected to be 0.1 and 0.2 while the molar ratio of DMEA to n-butanol was kept constant at 2 in the three-component BOL. The simultaneous vapor–liquid and chemical equilibrium calculation algorithm using LJ-Global TPT2 equation of state was used for the thermodynamic modeling of CO 2 solubility in BOLs. The average absolute relative deviation error (AAD%) for the calculation of total pressure of DBU/n-butanol, DBU/DMEA and DBU/DMEA/n-butanol BOLs were obtained to be 8.5%, 5.8% and 8.6%, respectively." @default.
- W3161349566 created "2021-05-24" @default.
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- W3161349566 date "2021-09-01" @default.
- W3161349566 modified "2023-09-29" @default.
- W3161349566 title "CO2-binding organic liquids for high pressure CO2 absorption: Statistical mixture design approach and thermodynamic modeling of CO2 solubility using LJ-Global TPT2 EoS" @default.
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- W3161349566 doi "https://doi.org/10.1016/j.molliq.2021.116396" @default.
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